Regioselectivity in the Addition of Nucleophilic Reagents to 1-Alkylthio-2-polyfluoroalkylacetylenes View Full Text


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Article Info

DATE

2000-11

AUTHORS

E. G. Kapustin, V. M. Bzhezovskii, R. Ya. Musyanovich, Yu. G. Shermolovich

ABSTRACT

Calculations for HC≡CH, HC≡CCF3, and H3CSC≡CCF3 were carried out using the MP2(f)/6-31G(d) nonempiric quantum-chemical method. The electronic structure and charge density distribution were examined using natural bond orbitals and the results account for the differences in the direction of nucleophilic attack of the triple bond in HC≡CCF3 and H3CSC≡CCF3.

PAGES

331-333

Identifiers

URI

http://scigraph.springernature.com/pub.10.1023/a:1005268528044

DOI

http://dx.doi.org/10.1023/a:1005268528044

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1030603241


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