Excited-State Proton Transfer via Hydrogen-Bonded Acetic Acid (AcOH) Wire for 6-Hydroxyquinoline

2011 ◽  
Vol 115 (1) ◽  
pp. 19-24 ◽  
Author(s):  
Yu-Hui Liu ◽  
Mohan Singh Mehata ◽  
Jian-Yong Liu
Keyword(s):  
Acetic Acid ◽  
Excited State ◽  
Proton Transfer ◽  
Excited State Proton Transfer ◽  
Hydrogen Bonded

A questionable excited-state double-proton transfer mechanism for 3-hydroxyisoquinoline

2015 ◽  
Vol 17 (2) ◽  
pp. 1142-1150 ◽  
Author(s):  
Jinfeng Zhao ◽  
Junsheng Chen ◽  
Yanling Cui ◽  
Jing Wang ◽  
Lixin Xia ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Excited State ◽  
Proton Transfer ◽  
Transfer Mechanism ◽  
Double Proton Transfer ◽  
Excited State Proton Transfer ◽  
Acid Acid ◽  
Transfer Mechanisms

Two excited state proton transfer mechanisms of 3-hydroxyisoquinoline (3HIQ) in cyclohexane and acetic acid (ACID) were investigated.

Ground and excited state proton transfer in intramolecularly hydrogen bonded aromatic α-hydroxy azo, aldehydes and their derivatives

1997 ◽  
Vol 415 (1-2) ◽  
pp. 115-121 ◽  
Author(s):  
Gabriela N. Ledesma ◽  
Gabriela A. Ibañez ◽  
Graciela M. Escandar ◽  
Alejandro C. Olivieri
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Excited State Proton Transfer ◽  
Hydrogen Bonded

Direct observation of the excited-state proton transfer and decay kinetics of internally hydrogen-bonded photostabilizers in copolymer films

1985 ◽  
Vol 121 (4-5) ◽  
pp. 417-422 ◽  
Author(s):  
Donald B. O'Connor ◽  
Gary W. Scott ◽  
Daniel R. Coulter ◽  
Amitava Gupta ◽  
S.P. Webb ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Direct Observation ◽  
Decay Kinetics ◽  
Copolymer Films ◽  
Excited State Proton Transfer ◽  
Kinetics Of ◽  
Hydrogen Bonded

Effects of intermolecular hydrogen bonding on the excited-state proton transfer properties of the cinnamonitrile–methanol complex

2013 ◽  
Vol 91 (3) ◽  
pp. 229-234 ◽  
Author(s):  
Dapeng Yang ◽  
Ruiquan Qi
Keyword(s):  
Hydrogen Bonding ◽  
Excited State ◽  
Charge Transfer ◽  
Proton Transfer ◽  
Density Functional ◽  
Dft Method ◽  
Electronic Energy ◽  
Intermolecular Hydrogen Bonding ◽  
Excited State Proton Transfer ◽  
Hydrogen Bonded

The time-dependent density functional theory (TD-DFT) method was used to study the excited-state proton transfer (ESPT) properties of the hydrogen-bonded cinnamonitrile (3TPAN)–methanol (MeOH) complex (3TPAN–MeOH). The intermolecular hydrogen bonds N1···H11 in both the ground state S0 and the excited state S1 were demonstrated by the optimized geometric structures of the hydrogen-bonded 3TPAN–MeOH complex. While in the excited state S3, a new hydrogen bond H11···O1 was formed after the ESPT took place from the hydrogen-bonded MeOH molecule to the 3TPAN moiety. It was demonstrated that the electronic transitions of the S1 states for both the 3TPAN monomer (including the S3 state) and the hydrogen-bonded 3TPAN–MeOH complex should be of a localized-excited (LE) nature on the 3TPAN molecule, while the S3 state of the hydrogen-bonded 3TPAN–MeOH complex should be of charge transfer (CT) character from the hydrogen-bonded MeOH molecule (through O1···H11) to the 3TPAN moiety. The S3-state proton transfer and charge transfer due to the intermolecular hydrogen-bonding interaction should be the reasons for the remarkable redshift (0.91 eV) of the S3-state electronic energy for the hydrogen-bonded 3TPAN–MeOH complex compared with that of the 3TPAN monomer.

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