Ground and Excited State Intramolecular Proton Transfer in Salicylic Acid:  an Ab Initio Electronic Structure Investigation

1999 ◽  
Vol 103 (31) ◽  
pp. 6257-6262 ◽  
Author(s):  
Shruti Maheshwari ◽  
Arindam Chowdhury ◽  
Narayanasami Sathyamurthy ◽  
Hirdyesh Mishra ◽  
H. B. Tripathi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Salicylic Acid ◽  
Excited State ◽  
Proton Transfer ◽  
Ab Initio ◽  
Intramolecular Proton Transfer ◽  
Structure Investigation ◽  
Ab Initio Electronic Structure

Excited State Intramolecular Proton Transfer in Methyl and Methoxy Substituted Salicylic Acid

2009 ◽  
Vol 27 (10) ◽  
pp. 1897-1902 ◽  
Author(s):  
Kumar Sahoo Suban ◽  
Kanta Bera Rati ◽  
Kishore Kanungo Bikram ◽  
Baral Minati
Keyword(s):  
Salicylic Acid ◽  
Excited State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer

Excited state intramolecular proton transfer in julolidine derivatives: an ab initio study

2018 ◽  
Vol 20 (38) ◽  
pp. 25031-25038 ◽  
Author(s):  
Šimon Budzák ◽  
Denis Jacquemin
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Ab Initio ◽  
Intramolecular Proton Transfer ◽  
Substitution Effects ◽  
Ab Initio Study

We have studied, using ab initio tools, a series of fluorescent julolidine derivatives, undergoing Excited State Intramolecular Proton Transfer (ESIPT) and some unexpected substitution effects have been found.

scholarly journals Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations

2015 ◽  
Vol 17 (15) ◽  
pp. 9687-9697 ◽  
Author(s):  
Shu-Hua Xia ◽  
Bin-Bin Xie ◽  
Qiu Fang ◽  
Ganglong Cui ◽  
Walter Thiel
Keyword(s):  
Electronic Structure ◽  
Excited State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Nonadiabatic Dynamics ◽  
Surface Hopping ◽  
Dynamics Simulations

The combined electronic structure computations and nonadiabatic dynamics simulations show that excited-state intramolecular proton transfer to carbon atoms can be ultrafast.

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