Crystal Structure, Spectroscopic, and Theoretical Investigations of Excited-State Proton Transfer in the Doubly Hydrogen-Bonded Dimer of 2-Butylamino-6-methyl-4-nitropyridineN-Oxide

2006 ◽  
Vol 110 (37) ◽  
pp. 10690-10698 ◽  
Author(s):  
Anna Szemik-Hojniak ◽  
Irena Deperasiñska ◽  
Lucjan Jerzykiewicz ◽  
Piotr Sobota ◽  
Marek Hojniak ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Excited State ◽  
Proton Transfer ◽  
Theoretical Investigations ◽  
Excited State Proton Transfer ◽  
Hydrogen Bonded

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.

Excited-State Proton Transfer in 7-Hydroxy-4-methylcoumarin along a Hydrogen-Bonded Water Wire

2007 ◽  
Vol 111 (1) ◽  
pp. 127-135 ◽  
Author(s):  
Ivelina Georgieva ◽  
Natasha Trendafilova ◽  
Adélia J. A. Aquino ◽  
Hans Lischka
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Excited State Proton Transfer ◽  
Hydrogen Bonded
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