Triple bonds to silicon. Substituent effects on the thermodynamic and kinetic stabilities of silynes relative to their isomeric silylidenes and silavinylidenes

被引:42
作者
Apeloig, Y [1 ]
Karni, M [1 ]
机构
[1] TECHNION ISRAEL INST TECHNOL, MINERVA CTR COMPUTAT QUANTUM CHEM, IL-32000 HAIFA, ISRAEL
关键词
D O I
10.1021/om960844k
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Substituent effects on the potential energy surface (PES) of RHSiC (R = H, CH3, SiH3, F, OH) were studied by ab initio molecular orbital methods. The unimolecular and kinetic stability of silaacetylenes is strongly dependent on the substituent, pointing to FSi=CH and R'OSi=CH as viable candidates for experimental observation.
引用
收藏
页码:310 / 312
页数:3
相关论文
共 40 条
[1]   TRIPLE BONDS TO SILICON - RELATIVE STABILITIES AND ENERGY BARRIERS SEPARATING SILANITRILES AND SILAISONITRILES - AN AB-INITIO STUDY [J].
APELOIG, Y ;
ALBRECHT, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (27) :7263-7264
[2]  
Apeloig Y., 1989, CHEM ORGANIC SILICON, P57
[3]   THE 1ST X-RAY STRUCTURE OF A PHOSPHASILENE - 1,3,4-TRIPHOSPHA-2-SILABUTENE-(1) [J].
BENDER, HRG ;
NIECKE, E ;
NIEGER, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (08) :3314-3315
[4]   GAS-PHASE REACTIONS .48. PHENYL SILAISOCYANIDE - THE 1ST ORGANO-SILICON COMPOUND WITH A FORMAL SI=N TRIPLE BOND [J].
BOCK, H ;
DAMMEL, R .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1985, 24 (02) :111-112
[5]   DISILYNE (SI2H2) REVISITED [J].
COLEGROVE, BT ;
SCHAEFER, HF .
JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (14) :5593-5602
[6]   THE GAS-PHASE CHEMISTRY OF THE SILAACETYLIDE ANION, HCSI- [J].
DAMRAUER, R ;
DEPUY, CH ;
BARLOW, SE ;
GRONERT, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (06) :2005-2006
[7]   1,2,3-TRIPHOSPHA-4-SILABICYCLO[1.1.0]BUTANES FROM ACTIVATED, STABLE PHOSPHASILENES AND WHITE PHOSPHORUS [J].
DRIESS, M .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1991, 30 (08) :1022-1024
[8]   AN ARSANYLIDENSILANE (ARSASILENE) AND ITS DERIVATIZATION WITH TELLURIUM AND BENZOPHENONE [J].
DRIESS, M ;
PRITZKOW, H .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1992, 31 (03) :316-319
[9]  
FRISCH MJ, 1992, GAUSSIAN 92 DFT REVI
[10]   VINYLIDENE - THE FINAL CHAPTER [J].
GALLO, MM ;
HAMILTON, TP ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (24) :8714-8719