Ground-state intramolecular proton transfer and observation of high energy tautomer in 1,4-Dihydroxyanthraquinone

2021 ◽  
Vol 1232 ◽  
pp. 130050
Author(s):  
Hari P. Upadhyaya
Keyword(s):  
Proton Transfer ◽  
Ground State ◽  
High Energy ◽  
Intramolecular Proton Transfer

Ultrafast Ground-State Intramolecular Proton Transfer in Diethylaminohydroxyflavone Resolved with Pump–Dump–Probe Spectroscopy

2018 ◽  
Vol 9 (15) ◽  
pp. 4174-4181 ◽  
Author(s):  
Zhuoran Kuang ◽  
Qianjin Guo ◽  
Xian Wang ◽  
Hongwei Song ◽  
Mark Maroncelli ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Ground State ◽  
Intramolecular Proton Transfer ◽  
Probe Spectroscopy

scholarly journals Excited-state intramolecular proton-transfer reaction demonstrating anti-Kasha behavior

2016 ◽  
Vol 7 (1) ◽  
pp. 655-665 ◽  
Author(s):  
Huan-Wei Tseng ◽  
Jiun-Yi Shen ◽  
Ting-Yi Kuo ◽  
Ting-Syun Tu ◽  
Yi-An Chen ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
High Energy ◽  
Intramolecular Proton Transfer

When excited with high energy quanta, specially designed 3-hydroxychromone derivatives demonstrate dramatic enhancement of the excited-state intramolecular proton transfer (ESIPT) reaction in obvious violation of Kasha's rule.

An ab initio study of the structure and intramolecular proton transfer in tropolone

1991 ◽  
Vol 69 (2) ◽  
pp. 201-204 ◽  
Author(s):  
Miguel A. Ríos ◽  
Jesús Rodríguez
Keyword(s):  
Proton Transfer ◽  
Ab Initio ◽  
Ground State ◽  
Vibrational State ◽  
Intramolecular Proton Transfer ◽  
Ab Initio Study ◽  
Proton Tunneling ◽  
Full Optimization ◽  
Minimum Potential ◽  
Intramolecular Hydrogen

An ab initio study of tropolone was carried out at the 3-21G level, with full optimization of the geometry, and the intramolecular proton transfer in the ground state was analysed. The two equivalent Cs structures can be converted to each other via a C2v symmetry transition state with a double minimum potential. The splitting of the ground vibrational state generated by proton tunneling was determined by procedures of variable complexity and found to be in the range Δ = 0.1–0.15 cm−1, i.e., clearly smaller than experimental predictions. Key words: tropolone, intramolecular hydrogen bond, proton transfer, ab initio calculations, molecular structure.

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