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CNDO Calculations on Benzylideneaniline

Th. Bluhm ; Institut fur Physikalische Chemie und Rechenzentrum der Universitat Dusseldorf, Dusseldorf, Germany
J. V. Knop ; Institut fur Physikalische Chemie und Rechenzentrum der Universitat Dusseldorf, Dusseldorf, Germany
B. Behjati ; Institut fur Physikalische Chemie und Rechenzentrum der Universitat Dusseldorf, Dusseldorf, Germany


Puni tekst: engleski pdf 3.370 Kb

str. 29-34

preuzimanja: 105

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Sažetak

CND0/2 calculations lead to a conformation for trans-N-benzylideneaniline
in agreement with most of the previous theoretical
and experimental results. The electron exicitation spectrum calculated
after optimization of the bond lengths by the CNDOS method
accords well with the experimental spectrum in respect of the
position of the electron transitions.

Ključne riječi

Hrčak ID:

195910

URI

https://hrcak.srce.hr/195910

Posjeta: 251 *