Molecular Structure of Triphenylamine in the Gas Phase |
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| Authors: | V A Naumov S Samdal A V Naumov S Gundersen H V Volden |
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| Institution: | (1) Arbuzov Institute of Organic and Physical Chemistry, Kazan Research Center, Russian Academy of Sciences, Kazan, Tatarstan, Russia;(2) University of Oslo, Norway |
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| Abstract: | The molecular structure of triphenylamine was studied by gas-phase electron diffraction in combination with ab initio calculations. It is found that in the gas phase at 160°C the molecule possesses C3 symmetry. The principal geometric parameters are as follows (r a structure): N-C 1.421(4), C-Cmean 1.399(1), C-H 1.123(2) Å, bond angles NCC 123.6(10)° and 117.2(7)°, and CNC 119.9(2)°. Torsion angles around C-N bonds are ?39° and ?45°. Phenyl groups are rotated by 48° from the position in which the C3 axis lies in the phenyl ring plane. |
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