| Abstract: | An ab initio study on the title compound was performed in this work. The structures at MP2(FULL)/6‐311G* level of theory and their energies at the CCSD(T)/6‐311G* level of theory were provided. Their vibrational frequencies and 29Si nuclear magnetic resonance (NMR) chemical shift had been carried out too. The thermodynamic data were calculated in order to help judge the relative stability of the isomers of SiCl3Li at experimental temperatures. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 79: 17–24, 2000 |
