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Through-bond interaction in the radical cation of N,N-dimethylpiperazine. Resonance Raman spectroscopy and quantum chemical calculations

✍ Scribed by A.M. Brouwer; F.W. Langkilde; K. Bajdor; R. Wilbrandt

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 480 KB
Volume: 225
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)87099-3

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✦ Synopsis

The radical cation of N,Ndimethylpiperazine is investigated by resonance Raman spectroscopy and ab initio calculations. The calculations strongly support the assignment of the vibrational spectrum to a chair conformation. It is shown that a dramatic geometry relaxation following ionization allows a much more efficient interaction between the nitrogen 'lone pairs' than in the neutral ground state.

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