Author:
Mirarchi D,Phillips L,Lumbroso H,Ritchie GLD
Abstract
Ab initio molecular orbital theory at the STO-3G level is used
to elucidate the structures and relative abundances of stable conformations of
the three benzenedicarbaldehydes. In addition, new
measurements of the infinite-dilution dipole moments and molar Kerr constants
of these molecules as solutes in dioxan at 25�C are
reported and analysed. The previously recognized inability of the simple group-
additivity model to reliably predict the anisotropy in the polarizability of
benzene-1,4-dicarbaldehyde is shown to be due to a redistribution of the polarizability in the molecular plane.
Cited by
4 articles.
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