Proton transfer mechanism of 1,3,5-tri(2-benzimidazolyl) benzene with a unique triple-stranded hydrogen bond network as studied by DFT-MD simulations

• Main Authors: Piyarat Nimmanpipug, Teerawit Laosombat, Vannajan Sanghiran Lee, Sornthep Vannarat, Suwabun Chirachanchai, Janchai Yana, Kohji Tashiro
• Format: Journal
• Published: 2018
• Subjects: Agricultural and Biological Sciences
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84937232414&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/44051
• Institution: Chiang Mai University

© 2015 Elsevier Ltd. Clarification of proton transfer mechanisms is crucial to the development of proton exchange membrane fuel cells (PEMFCs). Nitrogen-containing heterocyclic compounds (e.g., imidazole derivatives) are well known for their potential to assist proton hopping through hydrogen bond n...