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Paper Details

Quantum Mechanical Based Study of Coordinating Ability of Methylthioacetamide

P. P. Singh*, Priyanka Mishra and Jitendra Pratap Singh

Journal Title:Journal of Chemical, Biological and physical sciences
Abstract


It is well known fact that the bonding occurs at sulphur atom in thioamides. In order to prove this fact we have considered methylthioacetamide and calculated eigen values and eigen vectors using Cache software. With the help of eigen vectors, the concentrations of electrons on sulphur and nitrogen atoms of methylthioacetamide have been calculated. The sum of contributions of dorbitals of sulphur atom in the formation of molecular orbitals is smaller as compared to p-orbitals of nitrogen atom. This indicates that the bonding takes place at sulphur atom.

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