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PMR investigation of organic cations—I: Trithienyl methyl carbonium ions
Author(s) -
Taddei F.,
Spagnolo P.,
Tiecco M.
Publication year - 1970
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.1270020208
Subject(s) - carbonium ion , chemistry , benzene , delocalized electron , ring (chemistry) , ion , coupling constant , vicinal , carbocation , chemical shift , charge density , thiophene , computational chemistry , photochemistry , organic chemistry , physics , quantum mechanics
PMR spectral parameters are reported for the isomeric trithienyl carbonium ions. The low field shifts, relative to the corresponding carbinols, are discussed in relation to the delocalization of the positive charge into the thiophene ring bonded in position 2 or 3. A linear correlation is found between chemical shifts and π‐charge densities and the proportionality constant is higher than that previously found for benzene derivatives. Vicinal coupling constants in these systems are satisfactorily in agreement with the corresponding calculated π‐bond order.