THE ENERGETICS OF FORMATION AND X-RAY CRYSTAL-STRUCTURE OF SNSNS(ASF6)2, CONTAINING THE LATTICE-STABILIZED AROMATIC 6-PI 1,3,4,2,5-TRITHIADIAZOLIUM(2+) CATION FORMED BY THE CRYSTAL-LATTICE-ENERGY-DRIVEN, SYMMETRY-ALLOWED CYCLOADDITION OF SN+ AND SNS+

被引:14
作者
BROOKS, WVF
CAMERON, TS
GREIN, F
PARSONS, S
PASSMORE, J
SCHRIVER, MJ
机构
[1] DALHOUSIE UNIV,DEPT CHEM,HALIFAX B3H 4J3,NS,CANADA
[2] UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
关键词
D O I
10.1039/c39910001079
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We report the preparation, vibrational spectra and X-ray crystal structure of activated SNSNS(AsF6)2,, containing the 6-pi 1,3,4,2,5-trithiadiazolium(2+) cation, which dissociates in solution to SN+ and SNS+, consistent with ab initio 6-31G* calculations (estimated gas-phase dissociation enthalpy: -400 kJ mol-1); the activated SNSNS2+ ring represents a local energy minimum, and the cycloaddition of SN+ and SNS+ is driven in the solid state by the high lattice energy of the 1:2 salt.
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页码:1079 / 1081
页数:3
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