A Comparison of the Electrophilic Reactivities of Zn2+and Acetic Acid as Catalysts of Enolization:  Imperatives for Enzymatic Catalysis of Proton Transfer at Carbon

2004 ◽  
Vol 126 (16) ◽  
pp. 5164-5173 ◽  
Author(s):  
Juan Crugeiras ◽  
John P. Richard
Keyword(s):  
Acetic Acid ◽  
Proton Transfer ◽  
Enzymatic Catalysis

Ground and Excited-State Acetic Acid Catalyzed Double Proton Transfer in 2-Aminopyridine†

2003 ◽  
Vol 107 (18) ◽  
pp. 3244-3253 ◽  
Author(s):  
Fa-Tsai Hung ◽  
Wei-Ping Hu ◽  
Tsung-Hui Li ◽  
Chung-Chih Cheng ◽  
Pi-Tai Chou
Keyword(s):  
Acetic Acid ◽  
Excited State ◽  
Proton Transfer ◽  
Double Proton Transfer ◽  
Acid Catalyzed

Mechanism of Excited State Double Proton Transfer in 2-Amino-3-Methoxypyridine and Acetic Acid Complex

2018 ◽  
Vol 35 (9) ◽  
pp. 098201 ◽  
Author(s):  
Qing-Chi Meng ◽  
Song-Qiu Yang ◽  
Guang-Hua Ren ◽  
Tian-Shu Chu
Keyword(s):  
Acetic Acid ◽  
Excited State ◽  
Proton Transfer ◽  
Acid Complex ◽  
Double Proton Transfer

Double proton transfer in the complex of acetic acid with methanol: Theory versus experiment

2001 ◽  
Vol 114 (4) ◽  
pp. 1567-1574 ◽  
Author(s):  
Antonio Fernández-Ramos ◽  
Zorka Smedarchina ◽  
Jesús Rodrı́guez-Otero
Keyword(s):  
Acetic Acid ◽  
Proton Transfer ◽  
Double Proton Transfer ◽  
Theory Versus

PCILO study of hydrogen bond and proton transfer in systems 1-methylthymine-acetamide and 1-methylthymine-acetic acid

1981 ◽  
Vol 46 (4) ◽  
pp. 957-962 ◽  
Author(s):  
Milan Remko
Keyword(s):  
Hydrogen Bond ◽  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Quantum Chemical ◽  
Potential Functions ◽  
Double Proton Transfer ◽  
Proton Potential ◽  
Pcilo Method

Complexes containing two hydrogen bonds of the systems 1-methylthymine-acetamide and 1-methylthymine-acetic acid have been studied by the quantum-chemical PCILO method. In accordance with experiment our PCILO calculations have shown that acetic acid forms stronger hydrogen bonds than acetamide with 1-methylthymine. Further the PCILO method has been used to study of double proton transfer in O-H...O and N-H...O bonds of the complexes 1-methylthymine-acetamide and 1-methylthymine-acetic acid. Using equilibrium O...O and N...O distances, the PCILO calculations have given one-minimum proton potential functions. The proton transfer has not been observed. At somewhat longer N...O and O...O distances (0.30 nm) the PCILO calculations indicate a second minimum as a shoulder.

Quantum-chemical study of energy surface and the minimum-energy reaction path of the proton transfer along O-H...N hydrogen bond in acetic acid-imidazole x 2 H2O system

1982 ◽  
Vol 47 (7) ◽  
pp. 1893-1896 ◽  
Author(s):  
Milan Remko
Keyword(s):  
Hydrogen Bond ◽  
Acetic Acid ◽  
Proton Transfer ◽  
Quantum Chemical ◽  
Energy Surface ◽  
Reaction Path ◽  
Minimum Energy ◽  
Quantum Chemical Study ◽  
Energy Minimum ◽  
Energy Reaction

The semi-empirical quantum-chemical PCILO method has been used for calculation of the energy surface of the proton transfer along the O-H...N hydrogen bond in acetic acid-imidazole . 2 H2O system. The PCILO calculations gave the energy surface with two minima. The most stable minimum corresponds to the O-H...N hydrogen bond and has been found at the distances RH...N = 0.149 nm and RO...N = 0.107 nm. According to the PCILO calculations the proton transfer is accompanied by significant changes in the O...N distance. The second energy minimum corresponding to the proton transfer O-...NH+ complex has been found at RH...N = 0.10 nm and RO...N = 0.30 nm. The approximative minimum energy reaction path for the proton transfer has been calculated by the procedure developed by Muller and Brown. The calculated energy barrier represents a value 376.15 kJ/mol. The second energy minimum lies higher by 246 kJ/mol.

A questionable excited-state double-proton transfer mechanism for 3-hydroxyisoquinoline

2015 ◽  
Vol 17 (2) ◽  
pp. 1142-1150 ◽  
Author(s):  
Jinfeng Zhao ◽  
Junsheng Chen ◽  
Yanling Cui ◽  
Jing Wang ◽  
Lixin Xia ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Excited State ◽  
Proton Transfer ◽  
Transfer Mechanism ◽  
Double Proton Transfer ◽  
Excited State Proton Transfer ◽  
Acid Acid ◽  
Transfer Mechanisms

Two excited state proton transfer mechanisms of 3-hydroxyisoquinoline (3HIQ) in cyclohexane and acetic acid (ACID) were investigated.

Intermolecular proton-transfer in acetic acid clusters induced by vacuum-ultraviolet photoionization

2009 ◽  
Vol 131 (18) ◽  
pp. 184304 ◽  
Author(s):  
Keisuke Ohta ◽  
Yoshiyuki Matsuda ◽  
Naohiko Mikami ◽  
Asuka Fujii
Keyword(s):  
Acetic Acid ◽  
Proton Transfer ◽  
Vacuum Ultraviolet ◽  
Intermolecular Proton Transfer
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