THE SIZE AND SHAPE OF MOLECULAR-IONS AND THEIR RELEVANCE TO THE PACKING OF THE HEXAFLUOROPHOSPHATE SALTS

被引:20
作者
ROHL, AL [1 ]
MINGOS, DMP [1 ]
机构
[1] UNIV OXFORD,INORGAN CHEM LAB,OXFORD OX1 3QR,ENGLAND
来源
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS | 1992年 / 24期
关键词
D O I
10.1039/dt9920003541
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The volumes, surface areas, effective radii and shapes of inorganic ions have been used to rationalise the solid-state structures of a number of [PF6]- salts. The effective radii of the cluster ions, derived from the volume contained within the van der Waals sphere of the atoms, may be used to calculate radius ratios for the salts which are used to interpret the observed solid-state structures. The distortions from the idealised inorganic salt structures have been related to the non-spherical nature of the ions, which have been calculated from their moments of inertia. A method for graphically displaying the shape of the ions using a thermal ellipsoid plotting program has been developed. Finally the lattice energies of the salts have been calculated using the atom-atom potential method and the results show that the charge interactions between polarised ions can produce a structure that deviates greatly from the close-packed ideal.
引用
收藏
页码:3541 / 3552
页数:12
相关论文
共 35 条
[1]   CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTER - COMPUTER-BASED SEARCH, RETRIEVAL, ANALYSIS AND DISPLAY OF INFORMATION [J].
ALLEN, FH ;
BELLARD, S ;
BRICE, MD ;
CARTWRIGHT, BA ;
DOUBLEDAY, A ;
HIGGS, H ;
HUMMELINK, T ;
HUMMELINKPETERS, BG ;
KENNARD, O ;
MOTHERWELL, WDS ;
RODGERS, JR ;
WATSON, DG .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1979, 35 (OCT) :2331-2339
[2]   HYDROGEN TRANSFER PROCESSES IN THE FORMATION OF CATIONIC ETA-5-DIENYL COMPLEXES OF RUTHENIUM(II) - X-RAY STRUCTURE OF [RU(1-5-ETA-CYCLOOCTADIENYL)(PME2PH)3][PF6] [J].
ASHWORTH, TV ;
CHALMERS, AA ;
LILES, DC ;
MEINTJIES, E ;
OOSTHUIZEN, HE ;
SINGLETON, E .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1985, 284 (01) :C19-C23
[3]   QUADRATIC PBO-ALPHA MONOXIDE .1. DESCRIPTION OF THE FERROELASTIC STRUCTURAL TRANSITION [J].
BOHER, P ;
GARNIER, P ;
GAVARRI, JR ;
HEWAT, AW .
JOURNAL OF SOLID STATE CHEMISTRY, 1985, 57 (03) :343-350
[4]   CATION ANION INTERPLAY AND CRYSTAL CONSTRUCTION IN ORGANOMETALLIC SALTS OF LARGE CLUSTER ANIONS [J].
BRAGA, D ;
GREPIONI, F .
ORGANOMETALLICS, 1992, 11 (03) :1256-1263
[5]   ON THE FACTORS CONTROLLING THE CRYSTAL PACKING OF 1ST-ROW TRANSITION-METAL BINARY CARBONYLS [J].
BRAGA, D ;
GREPIONI, F ;
SABATINO, P .
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1990, (10) :3137-3142
[6]  
Cense J. -M., 1989, TETRAHEDRON COMPUTER, V2, P65, DOI 10.1016/0898-5529(89)90030-4
[7]  
COCKE DL, 1987, DESIGN NEW MATERIALS
[8]  
DAVIS BR, 1970, INORG CHEM, V9, P2768
[9]  
Desiraju G.R, 1989, CRYSTAL ENG DESIGN O, V54
[10]  
ELDER RC, 1981, J CHEM SOC CHEM COMM, P900, DOI 10.1039/c39810000900