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Spectroscopy: An International Journal
Volume 27, Article ID 206297, 11 pages
http://dx.doi.org/10.1155/2012/206297

Pt(II) Complexes with Linear Diamines—Part I: Vibrational Study of Pt-Diaminopropane

1Research Unit “Molecular Physical-Chemistry”, University of Coimbra, 3000 Coimbra, Portugal
2ISIS Facility, The Rutherford Appleton Laboratory, Chilton, Didcot OX11 0QX, UK
3Department of Life Sciences, Faculty of Science and Technology, University of Coimbra, Apartado 3046, 3001-401 Coimbra, Portugal

Copyright © 2012 Ana L. M. Batista de Carvalho et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

A conformational analysis of the Pt(dap)Cl2 complex ( d a p = 1 , 3 -diaminopropane) was performed by vibrational spectroscopy (FTIR, Raman, and INS), coupled to quantum mechanical methods within the density functional theory (DFT) and effective core potential (ECP) approaches. A complete spectral assignment of the system was achieved, due to the combined use of all available vibrational spectroscopic techniques. A good agreement was found between experimental and theoretical results, as well as with reported data for analogous complexes (e.g., cisplatin).