Issue 44, 2009

Decomposition pathways for the photoactivated anticancer complex cis,trans,cis-[Pt(N3)2(OH)2(NH3)2]: insights from DFT calculations

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(N3)2(OH)2(NH3)2] allowing assignment of 1LMCT transitions in the visible region of the UV-Vis spectrum; upon excitation to these low-energy 1LMCT states, release of one N3 ligand is facilitated, and on triplet formation, the dissociation of both NH3 and N3groupstrans to each other is promoted with no apparent reduction of the PtIV centre.

Graphical abstract: Decomposition pathways for the photoactivated anticancer complex cis,trans,cis-[Pt(N3)2(OH)2(NH3)2]: insights from DFT calculations

Supplementary files

Article information

Article type
Paper
Submitted
24 Jun 2009
Accepted
17 Aug 2009
First published
23 Sep 2009

Phys. Chem. Chem. Phys., 2009,11, 10311-10316

Decomposition pathways for the photoactivated anticancer complex cis,trans,cis-[Pt(N3)2(OH)2(NH3)2]: insights from DFT calculations

L. Salassa, H. I. A. Phillips and P. J. Sadler, Phys. Chem. Chem. Phys., 2009, 11, 10311 DOI: 10.1039/B912496A

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