O16-Induced Transfer Reactions onfp-Shell Target Nuclei. I. The (O16,N15) One-Proton Transfer Reaction

1973 ◽  
Vol 7 (1) ◽  
pp. 107-121 ◽  
Author(s):  
H. J. Körner ◽  
G. C. Morrison ◽  
L. R. Greenwood ◽  
R. H. Siemssen
Keyword(s):  
Proton Transfer ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Transfer Reactions

Intermolecular proton shuttling in excited state proton transfer reactions: insights from theory

2014 ◽  
Vol 16 (18) ◽  
pp. 8661-8666 ◽  
Author(s):  
Marika Savarese ◽  
Paolo A. Netti ◽  
Nadia Rega ◽  
Carlo Adamo ◽  
Ilaria Ciofini
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Transfer Reactions ◽  
Td Dft ◽  
Excited State Proton Transfer ◽  
Proton Transfer Reactions ◽  
Proton Shuttling

The mechanism of intermolecular proton shuttling involved in a prototypical excited state proton transfer reaction is disclosed using DFT and TD-DFT.

Electron and hole interactions with P, Z, and P:Z and the formation of mutagenic products by proton transfer reactions

2020 ◽  
Vol 22 (2) ◽  
pp. 919-931
Author(s):  
N. R. Jena
Keyword(s):  
Proton Transfer ◽  
Electron Acceptor ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Transfer Reactions ◽  
Proton Transfer Reactions

Z would act as an electron acceptor and P would capture a hole in the unnatural DNA. The latter process would produce mutagenic products via a proton transfer reaction.

Base-Cataytic Properties of Solid Silicon Imidonitrides

2002 ◽  
Vol 731 ◽  
Author(s):  
Peter Kroll ◽  
Dirk Mertens
Keyword(s):  
Proton Transfer ◽  
Density Functional ◽  
Transfer Reaction ◽  
Internal Surface ◽  
Proton Transfer Reaction ◽  
Transfer Reactions ◽  
Dynamic Simulations ◽  
Density Functional Methods ◽  
Functional Methods ◽  
Proton Transfer Reactions

AbstractStructural models of silicon imidonitride (SiNH) solids are studied using density functional methods. The porous models have densities between 1.6 and 2.4 g/cm3 with pore sizes between 4.5 Å and 7.5 Å. The networks consist of Si-N and N-H bonds only, with N-H and N-H2 groups located at the internal surface. Calculated Raman spectra compare very well with experimental results. We observed proton transfer reactions from an inserted malononitrile molecule to the SiNH-host during Car-Parrinello molecular dynamic simulations. The proton affinity of porous silicon imidonitride structures is confirmed by an energy gain for the proton transfer reaction to both N-H and N-H2 groups.

Enhanced CO2 uptake by intramolecular proton transfer reactions in amino-functionalized pyridine-based ILs

2017 ◽  
Vol 53 (44) ◽  
pp. 5950-5953 ◽  
Author(s):  
Mingguang Pan ◽  
R. Vijayaraghavan ◽  
Fengling Zhou ◽  
Mega Kar ◽  
Haoran Li ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Intramolecular Proton Transfer ◽  
Transfer Reactions ◽  
Co2 Uptake ◽  
Functionalized Pyridine ◽  
New Strategy ◽  
Proton Transfer Reactions

This work presents a new strategy for the promotion of CO2 uptake by an intramolecular proton transfer reaction in amino functionalized hydroxypyridine based anions.

Kinetics and isotope effects of the proton transfer reactions between 1-(4-nitrophenyl)-1-nitroethane to phenyltetramethylguanidine in dipolar aprotic solvents

1984 ◽  
Vol 62 (5) ◽  
pp. 954-957 ◽  
Author(s):  
Arnold Jarczewski ◽  
Przemyslaw Pruszynski ◽  
Mohammed Kazi ◽  
Kenneth T. Leffek
Keyword(s):  
Proton Transfer ◽  
Transfer Reaction ◽  
Isotope Effects ◽  
Proton Transfer Reaction ◽  
Transfer Reactions ◽  
Aprotic Solvents ◽  
Enthalpy Of Activation ◽  
Proton Transfer Reactions ◽  
Carbon Acid ◽  
Dipolar Aprotic Solvents

The carbon acid 1-(4-nitrophenyl)-1-nitroethane reacts with phenyltetramethylguanidine in the aprotic solvents acetonitrile, benzonitrile, and chlorobenzene in a bimolecular proton transfer reaction. The primary isotope effects, kH/kD, for these reactions at 25 °C are 8.5 ± 0.4, 6.1 ± 0.4, and 16 in acetonitrile, benzonitrile, and chlorobenzene respectively. The magnitude of the isotope effects on the enthalpy of activation [Formula: see text] are 2.3 ± 0.2, 1.6 ± 0.7, and 4.2 ± 0.6 kcal mol−1, which indicates a contribution from proton tunnelling to the reaction rate of the normal substrate.

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