Determinants for proton location and electron coupled proton transfer in hydrogen bonded pentafluorophenol–anion clusters

2020 ◽  
Vol 22 (29) ◽  
pp. 16712-16720
Author(s):  
Jian Zhang ◽  
Yan Yang ◽  
Zhenrong Sun ◽  
Xue-Bin Wang
Keyword(s):  
Proton Transfer ◽  
Biologically Relevant ◽  
Determinant Factors ◽  
Anion Clusters ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

This work reveals the determinant factors for proton locations and electron coupled proton transfer (ECPT) in biologically relevant hydrogen bonded systems.

Damaging Intermolecular Energy and Proton Transfer Processes in Alpha-Particle-Irradiated Hydrogen-Bonded Systems

2018 ◽  
Vol 130 (52) ◽  
pp. 17269-17273 ◽  
Author(s):  
Shenyue Xu ◽  
Dalong Guo ◽  
Xinwen Ma ◽  
Xiaolong Zhu ◽  
Wentian Feng ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Alpha Particle ◽  
Transfer Processes ◽  
Intermolecular Energy ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

scholarly journals Significance of nuclear quantum effects in hydrogen bonded molecular chains

2021 ◽  
Author(s):  
Ales Cahlik ◽  
Jack Hellerstedt ◽  
Jesus Mendieta-Moreno ◽  
Martin Švec ◽  
Vijai Santhini ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Mechanical Stability ◽  
Dominant Role ◽  
Zero Point ◽  
Quantum Effects ◽  
Molecular Networks ◽  
Hydrogen Bonded Systems ◽  
Low Dimensional ◽  
Nuclear Quantum Effects ◽  
Hydrogen Bonded

Abstract In hydrogen bonded systems, nuclear quantum effects such as zero-point motion and tunneling can significantly affect their material properties through underlying physical and chemical processes. Presently, direct observation of the influence of nuclear quantum effects on the strength of hydrogen bonds with resulting structural and electronic implications remains elusive, leaving opportunities for deeper understanding to harness their fascinating properties. We studied hydrogen-bonded one-dimensional quinonediimine molecular networks which may adopt two isomeric electronic configurations via proton transfer. Herein, we demonstrate that concerted proton transfer promotes a delocalization of π-electrons along the molecular chain, which enhances the cohesive energy between molecular units, increasing the mechanical stability of the chain and giving rise to new electronic in-gap states localized at the ends. These findings demonstrate the identification of a new class of isomeric hydrogen bonded molecular systems where nuclear quantum effects play a dominant role in establishing their chemical and physical properties. We anticipate that this work will open new research directions towards the control of mechanical and electronic properties of low-dimensional molecular materials via concerted proton tunneling.

Proton transfer in hydrogen bonded systems

1960 ◽  
Vol 257 (1288) ◽  
pp. 98-108 ◽  
Keyword(s):  
Hydrogen Bond ◽  
Absorption Band ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Direct Result ◽  
Isotopic Substitution ◽  
Association Energy ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

Evidence is presented that proton transfer occurs in certain special types of hydrogen bond and that as a direct result the association energy is increased. It is probable that this effect is also responsible for a t least a part of the broadening of the v XH absorption band. In support of this, a number of com pounds are described in which the hydrogen bonds are weakened by isotopic substitution. The implications of these findings are discussed.

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