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−