A solid-state (NMR)-N-1 and theoretical study of the chemical bonding in disilenes

被引:53
作者
West, R
Cavalieri, JD
Buffy, JJ
Fry, C
Zilm, KW
Duchamp, JC
Kira, M
Iwamoto, T
Muller, T
Apeloig, Y
机构
[1] YALE UNIV, NEW HAVEN, CT USA
[2] TOHOKU UNIV, SENDAI, MIYAGI 980, JAPAN
[3] HUMBOLDT UNIV BERLIN, BERLIN, GERMANY
[4] TECHNION ISRAEL INST TECHNOL, IL-32000 HAIFA, ISRAEL
关键词
D O I
10.1021/ja963921b
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Nine disilenes have been studied by solid-state NMR spectroscopy, under static or slow magic-angle spinning conditions, to determine the Si-29 chemical shift tensors. All of the compounds show strong deshielding along one axis and correspondingly large spreads of the tensor components, Delta delta (=delta(11) -delta(33)) MO calculations on model disilenes indicate that the deshielding results from a paramagnetic contribution along the in-plane axis perpendicular to the Si-Si vector. Implications of the NMR data and the theoretical camputations for Si=Si bonding are discussed.
引用
收藏
页码:4972 / 4976
页数:5
相关论文
共 49 条
[1]   NEW 2,4,6-TRIISOPROPYLPHENYL-SUBSTITUTED DISILENES [J].
ARCHIBALD, RS ;
VANDENWINKEL, Y ;
MILLEVOLTE, AJ ;
DESPER, JM ;
WEST, R .
ORGANOMETALLICS, 1992, 11 (10) :3276-3281
[2]  
Baines K. M., 1996, ADV ORGANOMET CHEM, V39, P275, DOI DOI 10.1016/S0065-3055(08)60470-0
[3]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[4]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[5]  
Brook A. G, 1996, ADV ORGANOMET CHEM, V39, P71, DOI DOI 10.1016/S0065-3055(08)60466-9
[6]  
BROTHERS PJ, 1995, ADV ORGANOMET CHEM, P39
[7]   THE SYNTHESIS, PROPERTIES, AND REACTIVITIES OF STABLE COMPOUNDS FEATURING DOUBLE BONDING BETWEEN HEAVIER GROUP-14 AND GROUP-15 ELEMENTS [J].
COWLEY, AH ;
NORMAN, NC .
PROGRESS IN INORGANIC CHEMISTRY, 1986, 34 :1-63
[8]   SELF-CONSISTENT PERTURBATION-THEORY OF DIAMAGNETISM .1. GAUGE-INVARIANT LCAO METHOD FOR NMR CHEMICAL-SHIFTS [J].
DITCHFIELD, R .
MOLECULAR PHYSICS, 1974, 27 (04) :789-807
[9]  
DRIESS M, 1996, ADV ORGANOMET CHEM, V39, P193
[10]   NATURE OF THE CARBON PHOSPHORUS DOUBLE-BOND AND THE CARBON PHOSPHORUS TRIPLE BOND AS STUDIED BY SOLID-STATE NMR [J].
DUCHAMP, JC ;
PAKULSKI, M ;
COWLEY, AH ;
ZILM, KW .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (19) :6803-6809