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INDO‐FPT calculations of the dihedral angle dependence of 1 J (CH) in groups adjacent to a cationic carbon atom
Author(s) -
Pachler K. G. R.,
Pachter R.
Publication year - 1979
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270120312
Subject(s) - cationic polymerization , dihedral angle , dihedral group , carbon atom , atom (system on chip) , carbon fibers , chemistry , group (periodic table) , computational chemistry , atomic physics , physics , mathematics , organic chemistry , computer science , algorithm , molecule , ring (chemistry) , hydrogen bond , composite number , embedded system
INDO‐FPT calculations of 1 J (CH) in the hypothetical ethyl cation are presented in support of a recently derived empirical relationship which describes the effect of a cationic carbon on 1 J (CH) in an adjacent CH n group.