The isomeric structures, isomerization and decomposition of silylenoids H(2)SiMX (MX=KF, KCl, LiBr, NaBr and KBr) have been investigated by ab initio molecular orbital theory. These silylenoids have four kinds of very...The isomeric structures, isomerization and decomposition of silylenoids H(2)SiMX (MX=KF, KCl, LiBr, NaBr and KBr) have been investigated by ab initio molecular orbital theory. These silylenoids have four kinds of very similar equilibrium structures. The three-membered ring and p-complex structures should be stable and experimentally detectable. The lifetime of sigma-complex and tetrahedral structures would be very short and experimentally undetectable.展开更多
基金Project supported by the National Natural Science Fundaion of China.
文摘The isomeric structures, isomerization and decomposition of silylenoids H(2)SiMX (MX=KF, KCl, LiBr, NaBr and KBr) have been investigated by ab initio molecular orbital theory. These silylenoids have four kinds of very similar equilibrium structures. The three-membered ring and p-complex structures should be stable and experimentally detectable. The lifetime of sigma-complex and tetrahedral structures would be very short and experimentally undetectable.
