Vol. 1, Issue 4 (2013)
Electronic structure of R(O)nSN=CH2 (n=0,1,2) systems
Author(s): Amita
Abstract: Ab initio calculations have been performed on R(O)nSN=CH2 (n=0,1,2) systems. Complete optimizations using HF/6-31+G*, MP2(full)/6-31+G* and B3LYP/6-31+G* levels show that sulfenimine (1), sulfinimine (2) and sulfonimine (3) prefer to have synperiplanar arrangement. NBO analysis has been carried out to quantitatively estimate these delocalisations.
Pages: 195-202 | 887 Views 43 Downloads
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How to cite this article:
Amita. Electronic structure of R(O)nSN=CH2 (n=0,1,2) systems. Int J Chem Stud 2013;1(4):195-202.
