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A qualitative molecular orbital picture of 2‐substituted carbonyl derivatives of furan and pyrrole
Author(s) -
Capdevila Jaume,
Canadell Enric
Publication year - 1981
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570180540
Subject(s) - mindo , chemistry , furan , pyrrole , computational chemistry , molecular orbital , solvent , organic chemistry , stereochemistry , molecule
The conformational preferences for some 2‐substituted furans and pyrroles have been studied by MINDO/3 and a qualitative model including solvent effects is proposed.