Investigation of ground state charge transfer complex between paracetamol and p-chloranil through DFT and UV–visible studies
作者： Madhulata Shukla , Nitin Srivastava , Satyen Saha
DOI: 10.1016/J.MOLSTRUC.2012.04.075
关键词: Computational chemistry 、 Density functional theory 、 Physical chemistry 、 Ground state 、 Charge-transfer complex 、 Chemistry 、 Chloranil 、 Charge (physics) 、 Bond length 、 Time-dependent density functional theory
摘要: … (CA) complex using … of charge transfer from PA to CA. TD-DFT calculations have been performed to analyse the observed UV–visible spectrum of PA–CA charge transferred complex. …
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