Dynamic Excited-State Intramolecular Proton Transfer Mechanisms of Two Novel 3-Hydroxyflavone-Based Chromophores in Two Different Surroundings

2019 ◽  
Vol 123 (18) ◽  
pp. 3937-3948 ◽  
Author(s):  
Jiaojiao Hao ◽  
Yang Yang
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Transfer Mechanisms

Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives

2015 ◽  
Vol 17 (18) ◽  
pp. 11990-11999 ◽  
Author(s):  
Jinfeng Zhao ◽  
Junsheng Chen ◽  
Jianyong Liu ◽  
Mark R. Hoffmann
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Proton Transfer ◽  
Density Functional ◽  
Intramolecular Proton Transfer ◽  
Time Dependent ◽  
Functional Theory ◽  
Double Proton Transfer ◽  
Transfer Mechanisms ◽  
Dependent Density

The excited state intramolecular proton transfer (ESIPT) mechanism of HBO, BBHQ and DHBO have been investigated using time-dependent density functional theory (TDDFT).

Density functional theoretical investigation of intramolecular proton transfer mechanisms in the derivatives of 3-hydroxychromone

2017 ◽  
Vol 4 (9) ◽  
pp. 1812-1818 ◽  
Author(s):  
Jin-Dou Huang ◽  
Jianbin Zhang ◽  
Dengyi Chen ◽  
Huipeng Ma
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Intramolecular Proton Transfer ◽  
Derivatives Of ◽  
Transfer Mechanisms

The ground and excited state intramolecular proton transfer mechanisms of 3-HTCA and 3-HTC-DiCN have been investigated systematically.

The novel excited state intramolecular proton transfer broken by intermolecular hydrogen bonds in HOF system

2019 ◽  
Vol 219 ◽  
pp. 164-172 ◽  
Author(s):  
Songsong Liu ◽  
Yu Zhao ◽  
Changzhe Zhang ◽  
Lili Lin ◽  
Yongqing Li ◽  
...  
Keyword(s):  
Excited State ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
The Novel ◽  
Intermolecular Hydrogen Bonds

scholarly journals An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone

2021 ◽  
Vol 154 (18) ◽  
pp. 184107
Author(s):  
Michele Nottoli ◽  
Mattia Bondanza ◽  
Filippo Lipparini ◽  
Benedetta Mennucci
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Enhanced Sampling

Effect of nonproximate atomic substitution on excited state intramolecular proton transfer

1998 ◽  
Vol 19 (2) ◽  
pp. 129-138 ◽  
Author(s):  
Martin ?uma ◽  
Clifton Thompson ◽  
Steve Scheiner
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Atomic Substitution
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