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Pariser‐Parr‐Pople SCF MO Calculation on the Sydnone Ring
Author(s) -
Wen ChungMing,
Tien HsienJu
Publication year - 1975
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.197500033
Subject(s) - sydnone , chemistry , mesoionic , ring (chemistry) , dipole , computational chemistry , atom (system on chip) , charge density , crystallography , quantum mechanics , medicinal chemistry , organic chemistry , physics , computer science , embedded system
Abstract The repulsive bond order of the sydnone ring between 2‐ and 4‐positions is very high negative and the π‐charge density carbon atom of position 4 is very small. The structure of sydnone ring are both dipolar form and mesoionic form.