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The structure of 4-(N,N-dimethylamino)benzonitrile and its van der Waals complexes

✍ Scribed by O. Kajimoto; H. Yokoyama; Y. Ooshima; Y. Endo

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 398 KB
Volume: 179
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(91)87085-p

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✦ Synopsis

The structure of N,N-dimethylaminobenzonitrile (DMABN) was determined using microwave and high-resolution laser spectroscopy. In the ground state, the molecule is found to be nearly planar with the inversion angle being about 15". In the excited state, however, the dimethylamino group rotates by 30" from the benzene plane while the inversion angle is zero. The structure of I : 1 DMABN-Ar and 1: 1 DMABN-Hz0 complexes was also estimated using high-resolution spectra. The Ar atom was found to lie above the benzene ring whereas the water molecule is located within the benzene plane, about 3.5 8, to the side of the CN group.

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