International Journal of Chemical Studies
Vol. 1, Issue 1 (2013)
Theoretical Investigations on R(O)nS - NH2 (n=0,1,2) systems
Abstract: In the current article, ab initio study on the stability of Sulfenamide (1) and its oxidized derivatives (2 and 3) has been reported. The bond length, rotational barrier, inversion barrier and negative hyper conjugative interactions have been calculated using ab initio MO and Density Functional (DFT) calculations and their values are compared. The analysis showed that negative hyperconjugative interactions play important role in these molecules.
Pages: 41-48 | 489 Views 4 Downloads
How to cite this article:
Amita. Theoretical Investigations on R(O)nS - NH2 (n=0,1,2) systems. International Journal of Chemical Studies. 2013; 1(1): 41-48.