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1. Distinguishing the early and late transition states and exploring the validity of [sigma]->[sigma.sup.*#], [sigma.sup.#]->[sigma.sup.*], and [sigma]->[pi*.sub.C=O] concepts in diastereoselection from NBO analysis

Author

Yadav, Veejandra K., Gupta, Archana, Balamurugan, Rengarajan, Sriramurthy, Vardhineedi, and Kumar, Naganabonia Vijaya

Subjects
Transition state (Chemistry) -- Research, Nucleophilic reactions -- Research, Carbonyl compounds -- Chemical properties, Biological sciences, Chemistry
Abstract

The results from a thorough natural bond orbital analysis of several transition states (TSs) for nucleophilic additions to carbonyl function are discussed. It is demonstrated that the absence or presence of the Cieplax type [sigma]->[sigma.sup.*#] interaction depends on whether the TS in question is of early or late character.

Published
2006

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