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Inelastic Neutron Scattering Study of Pt II Complexes Displaying Anticancer Properties
Author(s) -
Batista de Carvalho Luís A. E.,
Marques M. Paula M.,
Martin Christine,
Parker Stewart F.,
Tomkinson John
Publication year - 2011
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201001067
Subject(s) - inelastic neutron scattering , carboplatin , chemistry , platinum , neutron diffraction , cisplatin , inelastic scattering , crystallography , spectroscopy , scattering , spectral line , neutron scattering , computational chemistry , stereochemistry , crystal structure , physics , organic chemistry , optics , medicine , surgery , chemotherapy , quantum mechanics , catalysis , astronomy
The well‐known platinum(II) chemotherapeutic drugs cisplatin [ cis ‐(NH 3 ) 2 PtCl 2 ] and carboplatin [Pt(NH 3 ) 2 C 6 O 4 H 6 ], as well as the analogous transplatin [ trans ‐(NH 3 ) 2 PtCl 2 ], were studied by inelastic neutron scattering (INS) spectroscopy, coupled to quantum mechanical methods, and some ancillary work with X‐ray diffraction on powders. An assignment of the experimental spectra was carried out based on the calculated INS transition frequencies and intensities (at the DFT level), thereby achieving a good correspondence between the calculated and observed data. Unusually good‐quality INS spectra were obtained from about 250 mg, which is the smallest sample of a hydrogenous compound for which a successful INS interpretation has been reported. The knowledge of the local configuration of this kind of complexes is essential for an accurate understanding of their activity, which will pave the way for the rational design of novel third‐generation drugs comprising cisplatin‐ and carboplatin‐like moieties.