Early Time Hydrogen-Bonding Dynamics of Photoexcited Coumarin 102 in Hydrogen-Donating Solvents:  Theoretical Study

2007 ◽  
Vol 111 (13) ◽  
pp. 2469-2474 ◽  
Author(s):  
Guang-Jiu Zhao ◽  
Ke-Li Han
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Early Time ◽  
Coumarin 102 ◽  
Hydrogen Bonding Dynamics

Initial hydrogen-bonding dynamics of photoexcited coumarin in solution with femtosecond stimulated Raman spectroscopy

2016 ◽  
Vol 4 (14) ◽  
pp. 2954-2963 ◽  
Author(s):  
Fangyuan Han ◽  
Weimin Liu ◽  
Liangdong Zhu ◽  
Yanli Wang ◽  
Chong Fang
Keyword(s):  
Hydrogen Bond ◽  
Raman Spectroscopy ◽  
Hydrogen Bonding ◽  
Bond Breaking ◽  
Coumarin 102 ◽  
Hydrogen Bonding Dynamics ◽  
Dye Molecule ◽  
Stimulated Raman

The ultrafast hydrogen bond breaking and reformation dynamics at the carbonyl site of a coumarin 102 dye molecule in ethanol is captured by femtosecond stimulated Raman spectroscopy (FSRS) on the femtosecond and picosecond timescales.

Excited-state hydrogen-bonding dynamics of camphorsulfonic acid doped polyaniline: a theoretical study

2014 ◽  
Vol 16 (47) ◽  
pp. 26261-26265 ◽  
Author(s):  
Yahong Zhang ◽  
Yuping Duan ◽  
Tongmin Wang
Keyword(s):  
Hydrogen Bonding ◽  
Excited State ◽  
Theoretical Study ◽  
Camphorsulfonic Acid ◽  
Doped Polyaniline ◽  
Hydrogen Bonding Dynamics

We present a TDDFT study on excited-state hydrogen-bonding dynamics of a camphorsulfonic acid doped polyaniline complex.

Theoretical study of intramolecular hydrogen bonding and molecular geometry of 2-trifluoromethylphenol

10.1002/jcc.2 ◽  
1996 ◽  
Vol 17 (16) ◽  
pp. 1804-1819 ◽  
Author(s):  
Attila Kov�cs ◽  
Istv�n Kolossv�ry ◽  
G�bor I. Csonka ◽  
Istv�n Hargittai
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Molecular Geometry ◽  
Intramolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen

Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

2021 ◽  
Author(s):  
Thufail M. Ismail ◽  
Neetha Mohan ◽  
P. K. Sajith
Keyword(s):  
Hydrogen Bonding ◽  
Interaction Energy ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Theoretical Study ◽  
Nitroxide Radicals ◽  
Hydrogen Bonding Interactions ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

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