
TY  - JOUR
A1  - Mirarchi, D 
A1  - Phillips, L 
A1  - Lumbroso, H 
A1  - Ritchie, GLD 
T1  - Conformational preferences of the benzenedicarbaldehydes: an <I>ab initio</I> molecular-orbital, dipole-moment and Kerr-effect study
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1984
VL  - 37
IS  - 3
SP  - 465
EP  - 473
KW  - 
UR  - https://doi.org/10.1071/CH9840465 
N2  - 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 25ºC 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. 
ER  -

