Theoretical study on excited-state intermolecular proton transfer reactions of 1H-pyrrolo[3,2-h]quinoline with water and methanol

• Main Authors: Nawee Kungwan, Rathawat Daengngern, Tammarat Piansawan, Supa Hannongbua, Mario Barbatti
• Format: Journal
• Published: 2018
• Subjects: Chemistry
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84891383599&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/52365
• Institution: Chiang Mai University

The dynamics of the ultrafast excited-state multiple intermolecular proton transfer (PT) reactions in gas-phase complexes of 1H-pyrrolo[3,2-h]quinoline with water and methanol (PQ(H2O)n and PQ(MeOH)n, where n=1,2)ismodeledusingquantum-chemicalsimulations. The minimum energy ground-state structures o...