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4 4 Bipyridyl Vibrational Assignments and Force Field

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Author
Topaçlı, Arzu
Akyüz, Sevim
Type
Article
Date
1995-04
Language
en_US
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Abstract
A normal coordinate analysis of 4,4′-bipyridyl (4,4′-bipy) is carried out to establish consistent vibrational assignment and to determine a Urey-Bradley force field. The potential energy distribution of 4,4′-bipy is calculated which has provided certainty for the assignments. Additional information is obtained from the vibrational spectra of M (4,4′-bipy)Cl2 complexes (where M = Zn, Cu or Cd) and calculated wave numbers of complexed 4,4′-bipy. Several vibrational modes of 4,4′-bipy in the IR and Raman spectra of the complexes are found to have upward shifts in frequency compared to those in the free molecule and the shifts are metal dependent. An explanation supported by the normal coordinate analysis is provided in terms of coupling with low frequency vibrations, particularly the M-N stretching frequencies.
URI
https://doi.org/10.1016/0584-8539(94)00159-9
https://hdl.handle.net/11413/2557
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  • Makaleler / Articles [293]

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Istanbul Kültür University, Ataköy Campus E5 Karayolu Üzeri Bakırköy 34158, İstanbul / TURKEY
Copyright © İstanbul Kültür University

Creative Commons Lisansı
IKU Institutional Repository, Creative Commons Alıntı-GayriTicari-Türetilemez 4.0 Uluslararası Lisansı ile lisanslanmıştır.

Designed by  UNIREPOS