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A new method for differentiating between solvent effect mechanisms on 13 C chemical shifts
Author(s) -
Sugiura Makiko,
Takao Narao,
Ueji Shinichi
Publication year - 1982
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.1270180303
Subject(s) - solvent , van der waals force , solvent effects , chemical shift , chemistry , computational chemistry , molecule , organic chemistry
A new method of differentiating between the different mechanisms operative for 13 C solvent effects is proposed. This approach, in which the 13 C solvent shifts of C‐1 of tert ‐butylcyclohexane are selected for the reference solvent shifts, allows the study of 13 C solvent shifts measured from an internal TMS reference. Using this method, the solute factor related to the van der Waals contribution can be estimated, and specific solvent effects other than the van der Waals effect can also be detected.