Intermolecular Proton Transfer between Two Methylamine Molecules with an External Electric Field in the Gas Phase

1998 ◽  
Vol 102 (36) ◽  
pp. 7181-7190 ◽  
Author(s):  
Jian Yin ◽  
Michael E. Green
Keyword(s):  
Electric Field ◽  
Proton Transfer ◽  
Gas Phase ◽  
External Electric Field ◽  
Intermolecular Proton Transfer

External electric field promotes proton transfer in the radical cation of adenine–thymine

2016 ◽  
Vol 30 (21) ◽  
pp. 1650276 ◽  
Author(s):  
Guiqing Zhang ◽  
Shijie Xie
Keyword(s):  
Electric Field ◽  
Proton Transfer ◽  
External Electric Field ◽  
Radical Cation ◽  
Base Pair ◽  
Low Temperatures ◽  
Room Temperature ◽  
Theoretical Calculations ◽  
Base Pairs ◽  
Adenine Thymine

According to [Formula: see text] measurements, it has been predicted that proton transfer would not occur in the radical cation of adenine–thymine (A:T). However, recent theoretical calculations indicate that proton transfer takes place in the base pair in water below the room temperature. We have performed simulations of proton transfer in the cation of B-DNA stack composed of 10 A:T base pairs in water from 20 K to 300 K. Proton transfer occurs below the room temperature, meanwhile it could also be observed at the room temperature under the external electric field. Another case that interests us is that proton transfer bounces back after [Formula: see text][Formula: see text]300 fs from the appearance of proton transfer at low temperatures.

DFT investigation on the intramolecular and intermolecular proton transfer processes in 2-aminobenzothiazole (ABT) in the gas phase and in different solvents

2019 ◽  
Vol 31 (1) ◽  
pp. 243-252
Author(s):  
Nuha Wazzan ◽  
Zaki Safi ◽  
Roqaya Al-Barakati ◽  
Ohoud Al-Qurashi ◽  
Lateefa Al-Khateeb
Keyword(s):  
Proton Transfer ◽  
Gas Phase ◽  
Transfer Processes ◽  
Intermolecular Proton Transfer

Excited-State Intermolecular Proton Transfer Reactions of 7-Azaindole(MeOH)n(n= 1–3) Clusters in the Gas phase: On-the-Fly Dynamics Simulation

2011 ◽  
Vol 115 (49) ◽  
pp. 14129-14136 ◽  
Author(s):  
Rathawat Daengngern ◽  
Nawee Kungwan ◽  
Peter Wolschann ◽  
Adélia J. A. Aquino ◽  
Hans Lischka ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Gas Phase ◽  
Dynamics Simulation ◽  
Transfer Reactions ◽  
Intermolecular Proton Transfer ◽  
Proton Transfer Reactions
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