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Conjugated molecules in strong magnetic fields
Author(s) -
Labzowsky L. N.,
Lozovik Yu. E.
Publication year - 1973
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560070513
Subject(s) - diamagnetism , conjugated system , intramolecular force , molecule , paramagnetism , spin (aerodynamics) , chemistry , electron , ground state , magnetic field , linear molecular geometry , chemical physics , computational chemistry , atomic physics , molecular physics , condensed matter physics , physics , quantum mechanics , stereochemistry , thermodynamics , polymer , organic chemistry
The spin rearrangement of π‐electrons in the ground state of a conjugated molecule in a strong magnetic field H is discussed. The spin S of the molecule increases as the field H increases (intramolecular paramagnetism). The dependence S ( H ) for linear and cyclic conjugated molecules in the free‐electron model and in the Hückel‐London approximation is derived. For the cyclic molecules the diamagnetic effects are taken into account.