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Substituent effects on 13 C and 15 N chemical shifts in triazenes studied by principal components multivariate data analysis
Author(s) -
Dunn W. J.,
Lins C.,
Kumar G.,
Manimaran T.,
Grigoras S.,
Edlund U.,
Wold S.
Publication year - 1983
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/omr.1270210710
Subject(s) - substituent , halogen , principal component analysis , chemistry , class (philosophy) , stereochemistry , mathematics , organic chemistry , statistics , philosophy , alkyl , epistemology
Principal components analysis was applied to the 13 C and 15 N chemical shift data on a series of fifteen 1‐( para ‐substituted‐phenyl)‐3‐acetyl‐3‐methyltriazenes. It was found that the halogen‐substituted triazenes formed a class, based on substituent effects, which was different from the remaining eleven triazenes. A one‐component model described the halogen class, whereas a two‐component model was necessary for a description of the second class. In the second class, substituents tended to cluster to form groups depending on their electronic character.