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Decomposition pathways for the photoactivated anticancer complex cis,trans,cis-[Pt(N-3)(2)(OH)(2)(NH3)(2)] : insights from DFT calculations
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Salassa, Luca, Phillips, Hazel I. A. and Sadler, P. J. (2009) Decomposition pathways for the photoactivated anticancer complex cis,trans,cis-[Pt(N-3)(2)(OH)(2)(NH3)(2)] : insights from DFT calculations. Physical Chemistry Chemical Physics, Vol.11 (No.44). pp. 10311-10316. doi:10.1039/b912496a ISSN 1463-9076.
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Official URL: http://dx.doi.org/10.1039/b912496a
Abstract
Density functional theory (DFT) and time-dependent DFT (TD-DFT) provide new insights into the photodegradation pathways of the cytotoxic complex cis,trans,cis-[Pt(N-3)(2)(OH)(2)(NH3)(2)] allowing assignment of (LMCT)-L-1 transitions in the visible region of the UV-Vis spectrum; upon excitation to these low-energy (LMCT)-L-1 states, release of one N-3(-) ligand is facilitated, and on triplet formation, the dissociation of both NH3 and N-3(-) groups trans to each other is promoted with no apparent reduction of the Pt-IV centre.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QD Chemistry Q Science > QC Physics |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||
Library of Congress Subject Headings (LCSH): | Density functionals, Photodissociation, Charge transfer, Antineoplastic agents, Platinum compounds -- Therapeutic use, Cytochrome c | ||||
Journal or Publication Title: | Physical Chemistry Chemical Physics | ||||
Publisher: | Royal Society of Chemistry | ||||
ISSN: | 1463-9076 | ||||
Official Date: | 28 November 2009 | ||||
Dates: |
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Volume: | Vol.11 | ||||
Number: | No.44 | ||||
Number of Pages: | 6 | ||||
Page Range: | pp. 10311-10316 | ||||
DOI: | 10.1039/b912496a | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access | ||||
Funder: | Seventh Framework Programme (European Commission) (FP6), Engineering and Physical Sciences Research Council (EPSRC) | ||||
Grant number: | 220281 (FP7) |
Data sourced from Thomson Reuters' Web of Knowledge
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