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Self consistent field MO studies of the vinylguanidinium ion
Author(s) -
Sapse A. M.,
Snyder G.,
Santoro A. V.,
Herzig L.
Publication year - 1982
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560220314
Subject(s) - ion , moiety , chemistry , ab initio , computational chemistry , group (periodic table) , hartree–fock method , ab initio quantum chemistry methods , stereochemistry , organic chemistry , molecule
Ab initio Hartree–Fock calculations are used to predict the effect of substituting one hydrogen on the guanidinium ion by a vinyl group. The results show no overlap between the π‐electron system of the guanidinium moiety and that of the vinyl group.