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31 P and 13 C NMR spectra of cyclohexylphenylphosphines, tricyclohexylphosphine and triphenylphosphine
Author(s) -
Schraml Jan,
Čapka Martin,
Blechta Vratislav
Publication year - 1992
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260300615
Subject(s) - chemistry , triphenylphosphine , chemical shift , tricyclohexylphosphine , substituent , nmr spectra database , coupling constant , carbon 13 nmr , crystallography , j coupling , spectral line , rhodium , carbon 13 , nuclear magnetic resonance spectroscopy , molecule , stereochemistry , organic chemistry , phosphine , catalysis , physics , particle physics , astronomy , quantum mechanics
13 C and 31 P NMR chemical shifts and coupling constants are reported and assigned for the two cyclohexylphenylphosphines, tricyclohexylphosphine and triphenylphosphine. The 13 C NMR spectra of all compounds except dicyclohexylphenylphosphine could be assigned on the basis of APT experiments, substituent effects on the chemical shifts and the values of the 13 C 31 P spin–spin coupling constants. The 13 C NMR spectrum of dicyclohexylphenylphosphine, which shows six non‐equivalent (both in chemical shift and in spin–spin coupling) cyclohexyl carbons, was completely assigned on the basis of one‐bond and long‐range 13 C 13 C 2D INADEQUATE experiments. The variable‐temperature spectra indicate a hindered motion in this compound. The one‐bond 13 C 13 C spin–spin coupling constants of the cyclohexyl carbons vary only slightly with the distance from the substituent. An increase in the 31 P chemical shift with an increasing number of cyclohexyl groups parallels the increasing catalytic activity of rhodium complexes containing the studied molecules as ligands.