Photoion Photoelectron Coincidence Spectroscopy of Primary Amines RCH2NH2(R = H, CH3, C2H5, C3H7,i-C3H7):  Alkylamine and Alkyl Radical Heats of Formation by Isodesmic Reaction Networks

2006 ◽  
Vol 110 (50) ◽  
pp. 13425-13433 ◽  
Author(s):  
Andras Bodi ◽  
James P. Kercher ◽  
Curtis Bond ◽  
Patcharica Meteesatien ◽  
Bálint Sztáray ◽  
...  
Keyword(s):  
Alkyl Radical ◽  
Heats Of Formation ◽  
Primary Amines ◽  
Reaction Networks ◽  
Isodesmic Reaction ◽  
Coincidence Spectroscopy

Heats of Formation of the Propionyl Ion and Radical and 2,3-Pentanedione by Threshold Photoelectron Photoion Coincidence Spectroscopy

2005 ◽  
Vol 109 (5) ◽  
pp. 939-946 ◽  
Author(s):  
James P. Kercher ◽  
Elizabeth A. Fogleman ◽  
Hideya Koizumi ◽  
Bálint Sztáray ◽  
Tomas Baer
Keyword(s):  
Heats Of Formation ◽  
Coincidence Spectroscopy

Density Functional Studies on the Standard Heats of Formation for Nitroaromatic Molecules

2015 ◽  
Vol 1095 ◽  
pp. 415-418
Author(s):  
Xin Fang Su
Keyword(s):  
Experimental Data ◽  
Density Functional ◽  
Heats Of Formation ◽  
Isodesmic Reaction ◽  
Computational Results ◽  
Reference Compound ◽  
Isodesmic Reactions ◽  
Functional Studies ◽  
Experimental Values

The standard heats of formation for 12 nitroaromatic molecules in gas at 298 K were calculated at B3P86/6-311G** levels using different isodesmic reactions. Comparison between the computational results and the experimental values reveals that using methane as reference compound to design isodesmic reaction is able to predict satisfactory results of heats of formation for ortho-substituted nitroaromatic molecules; however, using benzene as reference compound is able to give agreement with experimental data for meta-substituted and para-substituted nitroaromatic molecules.

Photoinduced deaminative strategies: Katritzky salts as alkyl radical precursors

2020 ◽  
Vol 56 (4) ◽  
pp. 503-514 ◽  
Author(s):  
José Tiago M. Correia ◽  
Vitor A. Fernandes ◽  
Bianca T. Matsuo ◽  
José A. C. Delgado ◽  
Wanderson C. de Souza ◽  
...  
Keyword(s):  
Functional Groups ◽  
Alkyl Radical ◽  
Organic Molecules ◽  
Primary Amines ◽  
Recent Developments

Primary amines are one of the most predominant functional groups found in organic molecules. This review covers the most recent developments on photocatalytic deaminative strategies by using Katritzky Salts as alkyl radical reservoirs.

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