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Substituent effect on relative stabilities of the phosphorus and tin multiple bonds

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
378
Identifiers
DOI: 10.1016/s0009-2614(03)01268-5

Abstract

Abstract The unimolecular rearrangement of XSnP (X=H, Li, BeH, BH 2, CH 3, NH 2, OH, and F) to SnPX is considered using B3LYP and QCISD calculations. The theoretical findings suggest that the doubly bonded SnPX molecule is intrinsically more stable than the triply bonded XSnP species, regardless of the electronegativity of the substituent X attached. On the other hand, the model calculations predict that only bulky aryl substituents can greatly stabilize XSnP over SnPX due to the steric effect.

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