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Radical Cation of N , N -Dimethylpiperazine: Dramatic Structural Effects of Orbital Interactions through Bonds

โœ Scribed by Brouwer, A. M.; Zwier, J. M.; Svendsen, C.; Mortensen, O. S.; Langkilde, F. W.; Wilbrandt, R.


Book ID
127388521
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
131 KB
Volume
120
Category
Article
ISSN
0002-7863

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Through-bond interaction in the radical
โœ A.M. Brouwer; F.W. Langkilde; K. Bajdor; R. Wilbrandt ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 480 KB

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