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

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.

Naked-Eye Detection of C1–C4 Alcohols Based on Ground-State Intramolecular Proton Transfer

2014 ◽  
Vol 86 (5) ◽  
pp. 2521-2525 ◽  
Author(s):  
Zhanxian Li ◽  
Xingjiang Liu ◽  
Wanying Zhao ◽  
Sheng Wang ◽  
Wan Zhou ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Ground State ◽  
Intramolecular Proton Transfer ◽  
Eye Detection ◽  
Naked Eye ◽  
Naked Eye Detection
Sign in / Sign up

Export Citation Format

Share Document