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Paper
Phys. Chem. Chem. Phys., 2009, 11, 10311 - 10316, DOI: 10.1039/b912496a
Decomposition pathways for the photoactivated anticancer complex cis,trans,cis-[Pt(N3)2(OH)2(NH3)2]: insights from DFT calculations
Luca Salassa, Hazel I. A. Phillips and Peter J. Sadler
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 N3- groups trans to each other is promoted with no apparent reduction of the PtIV centre.
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