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

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

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.

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.

Ground- and Excited-State Double Proton Transfer in Lumichrome/Acetic Acid System:  Theoretical and Experimental Approach

2005 ◽  
Vol 109 (51) ◽  
pp. 11707-11714 ◽  
Author(s):  
Ewa Sikorska ◽  
Igor Khmelinskii ◽  
Marcin Hoffmann ◽  
Isabel F. Machado ◽  
Luis F. V. Ferreira ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Excited State ◽  
Proton Transfer ◽  
Experimental Approach ◽  
Acid System ◽  
Double Proton Transfer

scholarly journals Analysis of Butyl Butyrate Mass Spectrum

2018 ◽  
Vol 10 (1) ◽  
pp. 11
Author(s):  
Abdalla Mustafa Walwil
Keyword(s):  
Mass Spectrum ◽  
Proton Transfer ◽  
Educational Work ◽  
Butyl Butyrate ◽  
Chemistry Students ◽  
Double Proton Transfer

The aim of this educational work is targeting chemistry students and interested instructors. The presented work will analyze the mass spectrum of butyl butyrate (butyl butanoate). The analysis will concentrate on the mechanisms showing how the characteristic fragments are formed. The mechanisms discussed in this paper include α-cleavage, β-cleavage, McLafferty Rearrangements, first and second proton transfer, a double proton transfer. 

Heavy mass effect on excited-state double-proton transfer in the 7-azaindole dimer by Cl substitution

2007 ◽  
Vol 441 (4-6) ◽  
pp. 176-180 ◽  
Author(s):  
Xuan Zhang ◽  
Yusuke Komoto ◽  
Kenji Sakota ◽  
Masayuki Nakagaki ◽  
Haruyuki Nakano ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Mass Effect ◽  
Double Proton Transfer
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