ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
An S1 ring-N(CH3)2 torsional potential function with V2(approximately-equal-to)3700 and V4(approximately-equal-to)−1450 cm−1 is deduced from the published spectrum [Grassian et al., J. Chem. Phys. 90, 3994 (1989)] of 4-N,N-dimethylaminobenzonitrile. The equilibrium conformation is twisted by 25°, and there are barriers of 185 and 3900 cm−1 at the planar and perpendicular conformations. Similar results are obtained for the (CD3)2 derivative, and for N,N-dimethylaniline, 3-N,N-dimethylaminobenzonitrile, and 4-(trifluoromethyl)-N,N-dimethylaniline.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.458924
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