Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanol

• Main Authors: Rathawat Daengngern, Khanittha Kerdpol, Nawee Kungwan, Supa Hannongbua, Mario Barbatti
• Format: Journal
• Published: 2018
• Subjects: Chemical Engineering; Chemistry; Physics and Astronomy
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84879480060&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/52361
• Institution: Chiang Mai University

Excited-state triple proton transfer (ESTPT) reactions in 7-azaindole (7AI) complexed with two water,with one water and one methanol, and with two methanol molecules were investigated by dynamicssimulations in the first excited state computed with the second order algebraic-diagrammatic construc-tio...