A theoretical exploration of the nonradiative deactivation of hydrogen-bond complexes: isoindole–pyridine and quinoline–pyrrole

RSC Advances ◽  
2015 ◽  
Vol 5 (118) ◽  
pp. 97619-97628 ◽  
Author(s):  
Reza Omidyan ◽  
Mohammad Salehi ◽  
Gholamhassan Azimi
Keyword(s):  
Hydrogen Bond ◽  
Potential Energy ◽  
Proton Transfer ◽  
Excited States ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Nonradiative Deactivation ◽  
Energy Profiles ◽  
Pyridine Complex ◽  
Potential Energy Profiles

CC2 potential energy profiles of the ground and excited states of the isoindole–pyridine complex along the proton transfer reaction coordinate are studied.

Direct proton-transfer reaction via a transient hydrogen bond-bridged allyl anion system on the models of cycloheptatrienes and propene

1987 ◽  
Vol 52 (13) ◽  
pp. 2666-2673 ◽  
Author(s):  
Kazuko Takahashi ◽  
Tsuyoshi Suzuki ◽  
Hideo Toda ◽  
Kahei Takase ◽  
Shiro Koseki ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Proton Transfer ◽  
Transfer Reaction ◽  
Proton Transfer Reaction

ChemInform Abstract: Potential Energy Profiles of Proton Transfer Processes in Cationic Clusters

ChemInform ◽  
2010 ◽  
Vol 31 (13) ◽  
pp. no-no
Author(s):  
J. Bertran ◽  
A. Oliva ◽  
L. Rodriguez-Santiago ◽  
M. Sodupe
Keyword(s):  
Potential Energy ◽  
Proton Transfer ◽  
Transfer Processes ◽  
Energy Profiles ◽  
Potential Energy Profiles

A global ab initio potential energy surface and dynamics of the proton-transfer reaction: OH− + D2 → HOD + D−

2020 ◽  
Vol 22 (15) ◽  
pp. 8203-8211 ◽  
Author(s):  
Lulu Li ◽  
Bina Fu ◽  
Xueming Yang ◽  
Dong H. Zhang
Keyword(s):  
Potential Energy ◽  
Proton Transfer ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Reaction Mechanisms ◽  
Transfer Reaction ◽  
Energy Surface ◽  
Proton Transfer Reaction

The reaction mechanisms of OH− + D2 → HOD + D− were first revealed by theory, based on an accurate full-dimensional PES.

The mechanism of the excited-state multiple proton transfer reaction for 3-Me-2,6-diazaindole in aqueous solution

2018 ◽  
Vol 5 (18) ◽  
pp. 2749-2753 ◽  
Author(s):  
Jin-Dou Huang ◽  
Huipeng Ma
Keyword(s):  
Aqueous Solution ◽  
Excited State ◽  
Potential Energy ◽  
Proton Transfer ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Potential Energy Curves ◽  
Water Molecules

The potential energy curves show that(2,6-aza)Indin aqueous solution undergoes a quadruple-proton transfer reaction with the assistance of three water molecules.

Conjugated Dual Hydrogen-Bond Mediating Proton-Transfer Reaction in 3-Hydroxyisoquinoline

1998 ◽  
Vol 102 (6) ◽  
pp. 1053-1064 ◽  
Author(s):  
Ching-Yen Wei ◽  
Wei-Shan Yu ◽  
Pi-Tai Chou ◽  
Fa-Tsai Hung ◽  
Chen-Pin Chang ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Proton Transfer ◽  
Transfer Reaction ◽  
Proton Transfer Reaction
Sign in / Sign up

Export Citation Format

Share Document