A theoretical exploration and regulating about the excited state process for 2‐(4‐(diphenylamino)phenyl)‐3‐hydroxy‐4H‐chromen‐4‐one system

2019 ◽  
Vol 32 (12) ◽  
Author(s):  
Yusheng Wang ◽  
Qiaoli Zhang ◽  
Kai Xu ◽  
Weifen Jiang ◽  
Dapeng Yang
Keyword(s):  
Excited State ◽  
State Process ◽  
Excited State Process

A DFT/TDDFT Study on Excited State Process of a Novel Probe 4′-Fluoroflavonol

2017 ◽  
Vol 28 (5) ◽  
pp. 2449-2460 ◽  
Author(s):  
Dapeng Yang ◽  
Guang Yang ◽  
Jinfeng Zhao ◽  
Rui Zheng ◽  
Yusheng Wang
Keyword(s):  
Excited State ◽  
State Process ◽  
Excited State Process

Evidence for reversible excited-state process in tryptophan zwitterion

1994 ◽  
Author(s):  
Noel Boens ◽  
Luc Van Dommelen ◽  
Frans C. De Schryver ◽  
Marcel Ameloot
Keyword(s):  
Excited State ◽  
State Process ◽  
Excited State Process

Theoretical investigation on ESIPT mechanism for a novel Sal-3,4-benzophen system

2017 ◽  
Vol 16 (08) ◽  
pp. 1750073 ◽  
Author(s):  
Jian Lv ◽  
Dapeng Yang
Keyword(s):  
Excited State ◽  
Hydrogen Bonds ◽  
Potential Energy ◽  
Density Functional ◽  
Intramolecular Proton Transfer ◽  
Potential Energy Curves ◽  
State Process ◽  
The Density Functional Theory ◽  
Intramolecular Hydrogen ◽  
Excited State Process

In this work, we theoretically investigate the properties of excited state process for a novel salicylidene sal-3,4-benzophen (Sal-3,4-B) system, which contains two intramolecular hydrogen bonds (O1-H2[Formula: see text]N3 and O4-H5[Formula: see text]N6). Based on the density functional theory (DFT) and time-dependent DFT (TDDFT) methods, we find these two hydrogen bonds should be strengthened in the S1 state, while the O4-H5[Formula: see text]N6 one could be largely affected upon the excitation process. Analyses about infrared (IR) vibrational spectra about hydrogen bond moieties also confirm this viewpoint. Frontier molecular orbitals (MOs) depict the nature of electronic excited state and support the excited state intramolecular proton transfer (ESIPT) reaction.Two kinds of stepwise potential energy curves of Sal-3,4-B in the S1 state demonstrate that only one proton could be transferred. Also based on constructing potential energy curves, the synergetic situation could be eliminated. Due to the specific ESIPT mechanism for Sal-3,4-B, we successfully explain the previous experiment and provide a reasonable attribution to the second emission peak of experiment.

Transient low-barrier hydrogen bond in the photoactive state of green fluorescent protein

2015 ◽  
Vol 17 (46) ◽  
pp. 30876-30888 ◽  
Author(s):  
Marc Nadal-Ferret ◽  
Ricard Gelabert ◽  
Miquel Moreno ◽  
José M. Lluch
Keyword(s):  
Hydrogen Bond ◽  
Excited State ◽  
Green Fluorescent Protein ◽  
Quantum Dynamics ◽  
Fluorescent Protein ◽  
State Process ◽  
Green Fluorescent ◽  
Excited State Process

A transient low-barrier hydrogen bond has been found directly after photoexcitation using quantum dynamics to study the excited-state process in GFP.

Kinetics and Identifiability of an Intermolecular Two-State Excited-State Process in the Presence of a Fluorescent Impurity

1995 ◽  
Vol 99 (48) ◽  
pp. 17349-17353 ◽  
Author(s):  
Andrzej Kowalczyk ◽  
Katrien Meuwis ◽  
Noeel Boens ◽  
Frans C. De Schryver
Keyword(s):  
Excited State ◽  
State Process ◽  
Excited State Process
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