Issue 6, 1997

Quantum Chemical Study of the Hydrogen-bonded C4H2[triple bond, length as m-dash]HCl Complexes†

Abstract

Ab initio molecular orbital calculations at the MP2 full level and density functional calculations using 6-31 C 4 H 2 [triple bond, length as m-dash]HCl system and it is observed that formation of a weak complex is possible with a π[triple bond, length as m-dash]HCl type hydrogen bond between the C 4 H 2 and HCl molecules.

Article information

Article type
Paper

J. Chem. Res. (S), 1997, 216-217

Quantum Chemical Study of the Hydrogen-bonded C4H2[triple bond, length as m-dash]HCl Complexes†

A. Kumar Chandra and M. Tho Nguyen, J. Chem. Res. (S), 1997, 216 DOI: 10.1039/A608549K

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