Search Documents

By M. Sukhram, S. A. Argyropoulos

"In the aluminum and steel processing industries there is a need for velocity sensors to measure the flow characteristics of liquid metal. This paper will present a sensor and an inverse heat transfer technique to determine the direction of velocity in flowing liquid aluminum. Experimental research work with the sensor involving liquid aluminum was conducted, using the Revolving Liquid Metal Tank at the University of Toronto, which rotates 50 kg of liquid aluminum with velocities up to 0.35 m/s. Experimental data for various magnitude of velocity demonstrate that the sensor records different thermal profiles under different fluid flow conditions. Using the transient temperature information and the inverse technique, the direction of velocity of the molten aluminum flow field can be inferred. INTRODUCTIONOur research at the University of Toronto has focused on developing invasive sensors to determine the velocity of high temperature liquid metals. High temperature in this setting is defined at VALUES (in excess of 660 °C. The discussion which will persist in this manuscript involves detecting the direction of flow in liquid aluminum using an inverse heat transfer technique. We first reported on the sensor which is used in this article in the following two publications (Sukhram and Argyropoulos, 2011a; Sukhram and Argyropoulos, 2011b). The motivation to perform this research is due to the lack of sensors available to characterize the conditions within a high temperature liquid metal reactor/vessel. A report conducted by The Minerals Metals and Materials Society (TMS Energy 2011) has suggested that the introduction of sensors into molten metal processing environments has the potential to increase process efficiency up to 15%. Such sensors will aid in the understanding of high temperature liquid metal processing operations with the goal to implement more efficient process design and practice."

Jan 1, 2012

By Yin Guangzhi, Song Zhenlong, Li Minghui, Li Wenpu, Deng Bozhi

"Darcy's law is widely used to describe the oil and gas flow characteristics in the multi-pore media reservoir. However, the low-velocity non-Darcy flow of oil and gas occurs in the multi-pore media reservoir under low permeability conditions. Meanwhile, the high-velocity non-Darcy flow of oil and gas occurs in the multi-pore media near the wellbore. The gas flow velocities in coal in different deformation stage under different gas pressure gradient were tested and the relationships between gas flow velocity and gas pressure gradient were discussed, which can help us to investigate the transformation conditions of gas linear flow and gas nonlinear flow in coal. The results showed that the gas flow in the coal under low effective stress environment can be described by Darcy's law. The low-velocity non-Darcy flow of gas gradually occurred and the start-up pressure gradient increased in the coal as the effective stress increased. The low-velocity non-Darcy flow of gas also occurred in the coal at the yield deformation stage, however, the start-up pressure gradient decreased as the effective stress increased in this stage. In post-peak stage, the highvelocity non-Darcy flow of gas occurred in the coal under low effective stress environment. The gas flow in the coal gradually returned to be Darcy flow as the effective stress increased. The mechanism of the phenomenon is discussed based on the experimental results. The research results can be used to guide well test analysis and prediction of oil-gas production. INTRODUCTIONThe oil and gas flow in original multi-pore media reservoir are usually regarded as steady and linear processes and can be described by Darcy’s law. However, the low-velocity non-Darcy flow of oil and gas occurs in the multi-pore media reservoir under low permeability conditions. Meanwhile, the highvelocity non-Darcy flow of oil and gas occurs in the multi-pore media near the wellbore or workface. The gas flow in the multi-pore media even may be unsteady under some conditions such as gas emission and outburst.The phenomenon of underground water low-velocity flow in clays was deviated from Darcy’s law was found in the end of the nineteenth century (King, 1898). The deviation from Darcy’s law was later reported and investigated more (Swartzendruber, 1962; Miller and Low, 1963). These researches revealed that the start-up pressure gradient exists under low permeability conditions. Klinkenberg (1941) proposed that the permeability constant as determined with gases is dependent upon the property of the gas, and is a linear function of the reciprocal mean pressure. This effect can be explained by taking into account the phenomena of slip, which are related closely to the mean free paths of the gas molecules."

Jan 1, 2015

By R. C. Hartviksen, B. H. Boyum

"The Sherman Mine, Temagami, Ontario, is an iron ore pellet operation rated at one million tons per year capacity. Mining is done from three open pits in two bands of Keewatin iron-formation intercalated in a 'greenstone belt' thought to be part of the Archean 'Abitibi Belt'. The bands of iron-formation are tabular and steeply dipping, averaging 75 degrees. The principal ore mineral is magnetite.Blast holes, 1214 inches in diameter, are drilled on 28-foot centers, each hole being sampled and assayed for both total iron and magnetic iron. Concentration tests are made in the laboratory to determine the anticipated concentrate grade. Two classes of ore are recognized -'liberating' or 'refractory'. Blending is done on iron con-.tent, degree of ease of liberation (i.e. grain size) and chunkiness. The latter is important, as primary milling is done in autogenous mills. Actual daily mill results are compared with predicted grade from blast holes, exploration diamond drill holes and pit inspection. Hourly mill samples are analyzed by the X-Ray Fluorescent Analyzer, with emphasis on silica grade. In 1969, the pellet grade was improved from 7 .01 per cent silica natural to 5.50 per cent silica natural."

Jan 1, 1970

By Ali Montaser

This paper presents an experimental study conducted to facilitate the use of RFID on construction job sites. The study focuses on deployment settings to provide data acquisition with higher accuracy for indoor location sensing. It provides extension to the state-of-the-art in this field as it addresses the impact of metal media proximity to RFID tags, the reasonable duration for data capturing, number of RFID tags employed and the distance between them. Low cost passive RFID tags were used in the experiments where each tag is used as a reference point with a known location. Five hundred and forty (514) experiments were conducted in lab environment using a 3m by 3m test bed that is dynamically rearranged to generate 15 test beds and a total of 67713 data sets were collected and analyzed. The collected data were captured from nine locations for each test bed at four time intervals. Received Signal Strength Indicator (RSSI) was used as the main attribute for signal measurement to process the captured data. Results of the data analysis performed are studied under four main categories: duration, number of tags, locations of tags and metal interference. The best duration was found to be the 15 second in the test bed with the least number of tags; as the short amount of time to capture data did not allow creation of a lot of interference among the emitted signals. Within each test bed, errors occurred most at points where the received signals were not well distributed in a 360 degree vicinity of the data capturing point. It means that the center point of each test bed resulted in lowest errors and the points located on the extremities led to the highest errors. Finally, metal objects were found to have major impact on the accuracy of the captured data; to the level where reliable values for errors could not be calculated in the test beds attached to metal objects. In summary, the results of the experimental study and related findings are expected to provide guidelines to the users of RFID technology for localization in building construction.

Aug 1, 2013

By Marty Hudyma

Large seismic events have been reported in mines in the Sudbury mining camp for more than 70 years. Nevertheless, no detailed record of the events has been compiled. In 2008, the Sudbury Regional Seismic Network (SRSN) research project was initiated to collect more accurate data with regard to the magnitude and locations of mining-induced seismic events in and near the mines in the Sudbury Basin. The data is used to better understand the mechanisms of the events and cause-effect relations between mining and seismic events. Through the collection of a central database of large seismic events, new insight is being be gained into why some mines are much more prone to large events than others. Fifteen low cost seismic stations have been distributed throughout the Sudbury basin. The data from each seismic station is uploaded to a central server using the internet. Data recorded on the SRSN is processed on a daily basis, and a weekly summary of blasts and events is issued to project sponsors. Seismic events smaller than local magnitude +1.0 have been identified and located. Event location accuracy is less than 2 kilometres, however, many events have been located less than 1 km from a mine. The SRSN fills a seismic monitoring gap between the in-mine microseismic monitoring systems and the earthquake monitoring system operated by the Geological Survey of Canada. Since July 2008, more than 600 mine blasts and more than 450 mining-induced seismic events have been recorded in the Sudbury basin. This paper primarily discusses the technical aspects of the design and operation of the SRSN. The SRSN is a Canadian Mining Industry Research Organisation (CAMIRO) research project, with industry sponsorship and support from FNX Mining, Itasca Canada, Vale Inco and Xstrata Nickel.

Oct 1, 2010

By C. W. Eggert

This paper gives an account of the E.V.O.P. tests made at the Copper Rand mill of the Patino Mining Corporation in Chibougamau, Quebec. The runs were made to acquire an understanding of the method. A description of events, along with conclusions, observations and opinions, is out-lined.

Jan 1, 1967

By Yin Wang, Lin Li, Zhongwei Bi, Like Wei, Wen Li, Shaogang Li, Bin Zhang, Hongjie Li

Presently,Many long-wall fully-mechanized faces in shallow depth coal seams are below room and pillar goaf in Shendong mining area. When the working face is advanced out of concentrated coal pillar in upper room and pillar goaf, strong strata behaviors often cause support crushing accident. Aiming at a support crushing accident which happened in Shigetai coal mine of Shenhua group in Shendong mining area, this paper analyses the stress transfer process while mining out of concentrated coal pillar by numerical simulation software FLAC3D. According to the feature, simplifying the roof of upper room and pillar goaf as supporting-beam structure explains mechanism of large area collapse in room and pillar goaf roof. Based on the feature of supporting-beam structure, deep-hole blasting concentrated coal pillar technology is proposed to control the strong strata behaviors in Shigetai coal mine. The blasting control effect is confirmed through characteristics of strata behaviors, growth circumstance of ground crack and multi-point extensometer monitoring results. By using control technology, Shigetai coal mine has been successfully avoided support crushing accident.

Jan 1, 2015

By H. G. Wang

The production process of a coal mine can often be interrupted by all kinds of events scheduled or unscheduled and thus often needs gas drainage for a temporary or long-term sealed area. Gas drainage has a relatively high risk, therefore attention must be paid to its design to keep the process safe. Based on the conservation laws of mass and constituents, and under the conditions of the allowable gas concentration limit in the return air route, the relationship between gas concentration and gas drainage flow rate as a function of time during the drainage process is discussed in detail to build a mathematical model of gas drainage from a sealed area. With respect to the gas drainage process, two different conditions need to be considered: one with a methane free fresh air supply, the other with a low gas concentration. This paper presents the derived mathematical models for these situations and then shows that they can be incorporated into one model with some modification. This combined model can be employed to determine the optimum gas drainage flow rate with the shortest drainage time. The application is coded using the C# programming language within the .NET framework. Finally, the application program developed by the author is used to validate the mathematical model through an example of gas drainage with varying rate.

Aug 1, 2013

By J. G. Stevens, S. W. Colley

"Selective separations of metals and ions in mineral extraction and refining are becoming more challenging as ore bodies become more complex and environmental pressures increase. The separation and containment of mercury produced in gold mining are a factor in the profitability and operability of mines. This paper will discuss the development and implementation of the Johnson Matthey HgFree selective mercury removal process. The process is designed to selectively recover co-leached mercury from either heap leach pregnant solutions at ambient temperature and low mercury concentrations, or electrowinning pregnant solutions at elevated temperature and high mercury concentration, without affecting gold or silver recovery. The process utilizes a highly selective adsorption-desorption step in which mercury is removed quantitatively by the HgFree adsorbent without adsorption of gold, silver or other metals present. Development of the original HgFree adsorbent has resulted in a process whereby mercury can be recovered as an inert salt and is never present as the free metal. The HgFree adsorbent can be regenerated and recycled in situ, and is capable of being reused multiple times. The overall process is compatible with existing gold mining and recovery practices and offers significant environmental and sustainability benefits, including reduction or elimination of the need to retort mercury with a subsequent reduction in potential mercury air emissions. Development of the HgFree adsorbent and process will be discussed along with a pilot operation at two operating mines.INTRODUCTIONMany gold ore bodies contain high concentrations of mercury which when extracted with cyanide, co-extract with the gold and other metals. This mercury is carried through the process with the gold, posing environmental and technical issues when it is separated from the doré. This paper describes a method to selectively adsorb mercury from the gold recovery circuit while it is in a soluble form, leaving gold to be processed as normal. The removal of mercury from the circuit eliminates the need for mercury retorting of doré and so reduces the potential environmental impact of fugitive emissions of elemental mercury."

Jan 1, 2016

By R. G. S. Mussi

An inclined cooling plate is utilized as a modification in the compocasting process of magnesium alloy and the mechanical properties of the composites obtained are studied in this work. Based on crystal separation theory, molten AZ91D is poured onto an inclined plate in order to produce solidification nuclei inside the fluid metal, and is mechanically stirred while reinforcement is added. Particulate SiC was utilized as reinforcement in quantities varying from 0 to 15%vol. Dispersion of the reinforcement was observed by macro and microstructure analysis. SiC was properly mixed into matrix until 15%vol., and Vickers hardness tests were carried out for the composites produced. Results obtained for hardness were shown to increase with reinforcement addition and comparable to those of traditional compocasting. Utilization of Inclined Cooling Plate produced good inclusion and homogenization of SiC through an AZ91D matrix, at lower temperatures and shorter times than traditional compocasting.

Jan 1, 2006

By E. P. Evoy, A. W. Jolliffe

"The Uranium deposit of Gunnar Mines, Limited, is on the south shore of Crackingstone peninsula in the Beaverlodge area of northern Saskatchewan.The ore consists of disseminated pitchblende and uranophane in brecciated syenite, and forms a tubular or pipelike body, outcropping at the surface and plunging southward at about 45 degrees for a known length of1,400 feet (see Figure I). The upper portion is being removed by open-pit mining to a depth of 300 feet below adjacent Lake Athabasca. The remainder will require underground mining methods (see Figure 2).The property was staked in July, I 952, and the orebody was subsequently defined by about 70,000 feet of diamond drilling. A 1,250-ton mill was completed in 1955, and production commenced in September of that year with ore from the open-pit operation. The mill is presently being increased to 1,650 tons capacity, and a three-compartment vertical shaft is being sunk to 1,250 feet in preparation for underground mining.GeologyThe mine property is underlain by an assemblage of Precambrian metasediments known locally as paragneiss, granite-gneiss, and syenite. These lie on the southeast limb of a southwest-plunging anticline, strike about north 75 degrees east, and dip southward at about 45 degrees. Para- gneiss outcrops in the northwestern half of the claim group, and again on the islands south of St. Mary's Channel. The granite-gneiss lies conform-ably within the paragneiss and makes up the southeastern part of the property. The syenite forms an irregular, triangular-shaped mass within, and near the footwall of, the granite-gneiss band. Small lenticular bodies of mafic rocks are also present, the former being most prevalent in the paragneiss.The granite-gneiss is coarse to medium-grained, pink to grey, well foliated, and composed of feldspar (65 per cent), quartz (20 per cent), chlorite, and minor mica. The general concordance of its contacts with paragneiss and the absence of intrusive relationships along these, the presence of uniformly oriented inclusions of obviously sedimentary origin within the granite-gneiss, and the variation in colour and texture across the strike all strongly suggest that this member represents a granitized sedimentary rock."

Jan 1, 1949

By A. Sutherland Brown

"The Red Rose Mine is in the Rocher Deboule Range, 8 miles south of Hazelton. The mill camp (elevation 4,000 feet) is on Red Rose Creek, 11 miles by road from Skeena Crossing. The mine camp is one mile northeast and 1,600 feet above the mill camp on a spur of Red Rose Peak.The Red Rose mine was described in the Jubilee Volume, Structural Geology of Canadian Ore Deposits (Davis, pp. 129-131), but regional geology and mine development have progressed to a stage at which a more complete description is possible.The property was first located in 1912, and for the next 7 years was prospected actively for gold and copper on the southern extension of the Red Rose shear. Scheelite was first discovered in the vein in the northern part of the shear in 1923. The Consolidated Mining and Smelting Company of Canada, Limited optioned the property in 1939, and after a drilling program in 1940 the present mine development was initiated in the vein in the northern part of the shear. A 75-ton-per-day mill started operating early in 1942 and continued until 1943. The property was inactive until 195 l, when Western Tungsten Copper Mines Limited leased the property from The Consolidated Mining and Smelting Company of Canada, Limited. A mill, which later was enlarged to 140 tons per day, started operations at the end of 1951. The mine and mill were closed in December, 1954.The mine has twelve levels and sub1evels, and most of the workings are in the plane of the vein (see Figure 2a). The level interval is not constant, but between the lower four levels is 87 feet (100 feet in the plane of the vein). Access is provided by four adits; the 800 (elevation 5,659 feet), 600 (5,920 feet), 300 (6, 133 feet) and 200 levels (6,237 feet). The 600 level is the main haulage, and from it the ore is transported to the mill by aerial tram. From this level an inclined shaft extends in the vein to the lowest level (I, 100)."

Jan 1, 1949

By R. A. Lunceford, K. C. Shaver

Acquired by Teck Corporation in 1990, the White Earth project, located in southwestern Colorado is the largest titanium resource in the U.S. Teck Corporation has conducted geologic, reserve, mineral processing, pre-marketing, and environmental baseline studies directed toward the economic feasibility of producing titanium pigment. The White Earth project is situated in a 31 km2 alkalic-carbonatite complex intruded into Precambrian granite and metamorphic rocks about 570 million years ago. Perovskite occurs in a 8 km by 1.2 km Acquired by Teck Corporation in 1990, the White Earth project, located in southwestern Colorado is the largest titanium resource in the U.S. Teck Corporation has conducted geologic, reserve, mineral processing, pre-marketing, and environmental baseline studies directed toward the economic feasibility of producing titanium pigment. The White Earth project is situated in a 31 km2 alkalic-carbonatite complex intruded into Precambrian granite and metamorphic rocks about 570 million years ago. Perovskite occurs in a 8 km by 1.2 km

Jan 1, 1998

By J. Budac, R. Kofluk, S. Mankasingh

Stainless steels such as 316L or 304 are normally relatively resistant to attack by nitric acid. However research at Sherritt International’s Fort Saskatchewan Operation reveals that when the stainless steel is immersed in an aqueous system in which nitric acid is used to dissolve metals such as cobalt or nickel, the steel can be seriously corroded. Sherritt is patenting a simple process for arresting the corrosion via the use of copper. This process is expected to substantially eliminate corrosion in processes where nitric acid is used to dissolve metals attached to a stainless steel substrate.

Jan 1, 2014

By The Staff

IT is a high compliment to be invited to present a pap::r on the subject of "Mining in the National Economy". To cover it adequately would need the knowledge of the economic geologist and of the technical mining engineer, together with the arts of the statistician and of the economist in general, allied with generous psychic powers. Further, one should embellish the tale with a touch of drama. It is comforting that the subject is so broad that whatever may be said within the compass of a paper like the present, can hardly be criticized as going beyond the terms of reference. A conventional approach would be to begin with the noteworthy statistics of the mining industry of yesterday and today. But in the present company this would be "carrying coals to Newcastle"-or to give the venerable metaphor local colour, "nickel to Sudbury". Such statistics are available in all their stimulating detail in our official publications. Let us tackle at once, therefore, as a less hackneyed theme, the relationship of mining to other phases of the Canadian economy. RELATION TO TOTAL PRODUCTION While mining occupies a position of less importance than manufacturing or agriculture in Canada, its relative contribution has greatly increased during the post-war period. Due to the fall in wholesale prices, the net value of production in Canada has shown a decrease averaging about 1.5 per cent per year during the post-war period, though its volume of course has gone up. Mineral production on a value basis, on the other hand, showed a gain of 2.8 per cent per year. Mineral production was only 5.14 per cent of the net value of production of all kinds of commodities in 1919, bur from 1929 to 1936 the proportion rose steadily rill it reached no less than 12. 76 per cent in the latter year.

Jan 1, 1937

By D. G. Minnes

Many non-metallic minerals and structural materials are produced in Ontario to serve the needs of domestic manufacturers and export markets. In 1982 production was estimated to have a value of $765 million. Approximately 81 per cent of this was represented by structural materials, nearly 12.8 per cent by salt, and the remainder was other industrial minerals. Total mineral production in Ontario in 1982 was estimated at $3 .16 billion, down nearly $1.5 billion from 1980's high of $4.58 billion.

Jan 1, 1984

By Robert A. Brown

"The O'Brien mine is in the west-central part of Cadillac township along the Cadillac 'break', which extends for 7,500 feet from west to east across the property.The ground was staked in 1924 by A. Dumont and W. Hermeston, prospecting for M. J. O'Brien, Limited. The first vein discovered is that now known as No. 1. The No. 4 vein was later exposed on the surface; the other veins known to be present were revealed by underground work and diamond drilling carried out both from the surface and underground.The mine is developed from three vertical shafts: No .. 2 extending from the surface to 2,000 feet; No. 3 from the surface to 1,500 feet; and No. 4 from 2,000 to 3,000 feet. There is on the property a mill of about 200 tons a day capacity, the usual shops, and a townsite housing about forty-five families. Gold production to the end of September, 1944, amounted to 295,824 fine oz. from ore having an average grade of 0.505 oz. a ton. In addition, the mill recovered 3,237 tons of arsenic trioxide having a purity of 83 per cent As2O3.GENERAL GEOLOGYThe four main groups of rocks of the Cadillac area- the Cadillac, Blake River, Kewagama or Pontiac, and Malartic- are found within the boundaries of the property. However, as these rocks have been fully described in · various government reports (1,2,3,4,5,6) and all the known orebodies occur within one group- the Blake River-a detailed description of the geology will be dispensed with here. The known ore deposits lie south of the Cadillac 'break' in a group of rocks that includes 'greenstones', greywackes, conglomerate, porphyries, and a rock of gabbroic composition that may be intrusive. Both flows and tuffs can be recognized in the 'greenstones'. The two bands of porphyry that trend easterly across most of the property have been considered by some observers to be dyke rocks and by others to be flows. Certain evidence points to their being dykes that were intruded as sills considerably prior to the emplacement of the gold-bearing veins, but the possibility of flow origin cannot be fully rejected. North of the talc-chlorite-carbonate schist zone forming the 'break' the rocks are conglomerate and greywacke with iron formation, in which there are no known veins of ore grade. Within the schist zone are minor acid and basic intrusives. The general trend of both bedding and schistosity is a few degrees south of east. The dip is generally vertica1 or steep to the south."

Jan 1, 1954

By W. K. Muwais, R. G. Cuddy

"The Lower Cretaceous McMurray Formation contains the bitumen reserves of the Syncrude Mine in northeastern Alberta. This formation comprises sediments deposited sequentially in fluvial, estuarine and marine depositional environments. The Syncrude Base Mine area consists mostly of estuarine sediments, as much of the original marine sediments have been eroded away. These estuarine deposits consist of channel-fill sediments and interchannel tidal flat sediments with the channel-fills comprising most of the orebody.Channel-fills contain, among other lithologies, interbedded sand, silt and clay rich layers that often occur as sequences of inclined beds with dips up to 25 degrees or more. A detailed knowledge of the distribution of these inclined beds, their lithological characteristics and their continuity is very important in assessing the risk of mine highwall instability . Techniques used to identify and characterize adverse structures are reviewed. INTRODUCTIONGeneralThe Syncrude Canada Ltd. oil sand mine is located within the surface mineable portion of the Athabasca Oil Sands area about 40 kilometres north of Fort McMurray in northeastern Alberta, Canada (Fig. I). The company commenced large-scale strip mining of oil sands in June 1977in the area, referred to as the Base Mine, situated in the southeast corner of the company's two lease areas (Fig. 2).The mining method (Fig. 3) utilizes large electric drag lines operating on a single bench with highwall depths up to 60 metres. Feed grade oil sand (= 6 wt.% bitumen) is mined by draglines and windrowed parallel to the highwall crest. Lower grade oil sand « 6 wt. 0J0 bitumen) occurring as waste bands is selectively mined by the draglines and cast back into the mined out pit or placed on the bench and hauled by truck. The windrowed feed is delivered to the extraction plant by a bucket wheel reclaimer and conveyor system. Stripping of Recent, Pleistocene and Cretaceous overburden units is done outside the conveyor systems by mobile equipment. The 4.5 kilometre long mine is split into four quadrants for planning and scheduling purposes, with each quadrant having an individual dragline-bucketwheel-conveyor system.Surface mining of oil sand at Syncrude requires the removal of vast quantites of material. The design of the open pit mine relies heavily on knowledge of the distribution of ore and waste materials, and on the physical characteristics of these materials.The geology of the oil sand below the dragline bench at the Syncrude Mine is complex. Geological, geotechnical and hydrogeological factors play an important role in the design and operation of the mine. This paper describes aspects of the geology that impact on the design and operation of the mine. Some of the methods and procedures adopted by Syncrude to successfully overcome difficulties that the complex geology creates are discussed."

Jan 1, 1989

By E. J. Wasp, T. L. Thompson, T. C. Aude

The paper will deal with some of the more important technical aspects of slurry pipelines as they apply to the mineral field. In addition, the use of these technical concepts in arriving at realistic economic figures will be discussed.

Jan 1, 1970

By Fernando Canales

In the last decade a great dealt of attention has been paid to the chemistry of polynuclear gold derivatives with a central heteroatom, not only from the experimental and structural but also from the theoretical standpoint (1). Interesting hypercoordinated species of the type [C(AuPR3)5]+, [C(AuPR3)6]2+, [N(AuPR3)5]2+, [P(AuPR3)5]2+ and [P(AuPR3)6]3+ have been described (2), apart from other complexes with more conventional stoichiometry, and all have in common the presence of gold-gold interactions of ca. 3 Å. Usually, the chemistry of the first row elements of the p-block is known to follow classical rules of bonding, and only in cases of extreme electron-deficiency has the traditional electron count to be reconsidered to account for special types of molecular or solid state structures. Many of these heteroatomcentered complexes are electron-deficient and the gold-gold interactions provide a significant contribution to their stability. The attraction between these closed-shell systems has recently captured the attention in inorganic and organometallic chemistry (1). P. Pyykkö has summarized the available theoretical and experimental evidence of intra- and inter-molecular interactions between heavy metal atoms, such as Au(I) (3). In general, when heavy metals are involved in such interaction, the closed-shell attractions are of metallophilic or van der Waals type, as has been found for d8, d10 coinage-metals, and d10s2 centers. Experimental evidence for the aurophilic Au(I)???Au(I) attraction is available from crystallography, NMR and Raman spectroscopies, and optical spectroscopic measurements of the interaction strength (4). It is manifested in molecular conformations with relatively close Au???Au interactions of ca. 3 Å, whose strength has been estimated at ca. 25-50 kJ/mol (5). These attractions are weaker than most covalent or ionic bonds, but stronger than other van der Waals bonds and comparable in strength to typical hydrogen bonds. The phenomenon cannot be satisfactorily explained by classical theories such as hybridization (3). From a theoretical point of view, the attractions close to equilibrium distances are caused by dispersive interactions together with relativistic effects (6). The attractive contributions are dominated by pair-excitations from the heavy metal, such as gold, strengthened by relativistic effects. In all the cases where there are inter- or intramolecular metal-metal attractions, the correlation effects are essential; if they are omitted, at the Hartree-Fock (HF) level, repulsive interactions are obtained (6). Hence, it is necessary to use at least second-order Møller-Plesset level (MP2) methods for the dispersive forces, which are included in the electronic correlation effects (7).

Oct 1, 2003