Competing Gas-Phase Substitution and Elimination Reactions of Gemini Surfactants with Anionic Counterions by Mass Spectrometry. Density Functional Theory Correlations with Their Bolaform Halide Salt Models†

2008 ◽  
Vol 112 (46) ◽  
pp. 14435-14445 ◽  
Author(s):  
Carole Aimé ◽  
Benoit Plet ◽  
Sabine Manet ◽  
Jean-Marie Schmitter ◽  
Ivan Huc ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Density Functional Theory ◽  
Gas Phase ◽  
Density Functional ◽  
Gemini Surfactants ◽  
Functional Theory ◽  
Halide Salt ◽  
Elimination Reactions

Nb2BN2− cluster anions reduce four carbon dioxide molecules: reactivity enhancement by ligands

2020 ◽  
Vol 49 (40) ◽  
pp. 14081-14087 ◽  
Author(s):  
Hai-Yan Zhou ◽  
Ming Wang ◽  
Yong-Qi Ding ◽  
Jia-Bi Ma
Keyword(s):  
Mass Spectrometry ◽  
Carbon Dioxide ◽  
Density Functional Theory ◽  
Gas Phase ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Cluster Anions ◽  
Gas Phase Reactions ◽  
Functional Theory ◽  
Flight Mass Spectrometry

The thermal gas-phase reactions of Nb2BN2− cluster anions with carbon dioxide have been explored by using the art of time-of-flight mass spectrometry and density functional theory calculations.

scholarly journals Copper mediated decyano decarboxylative coupling of cyanoacetate ligands: Pesci versus Lewis acid mechanism

2015 ◽  
Vol 44 (19) ◽  
pp. 9230-9240 ◽  
Author(s):  
Jiawei Li ◽  
George N. Khairallah ◽  
Vincent Steinmetz ◽  
Philippe Maitre ◽  
Richard A. J. O'Hair
Keyword(s):  
Mass Spectrometry ◽  
Density Functional Theory ◽  
Gas Phase ◽  
Density Functional ◽  
Ion Trap ◽  
Functional Theory ◽  
Decomposition Reactions ◽  
Decarboxylative Coupling ◽  
Gas Phase Ion ◽  
Sequential Decomposition

A combination of gas-phase ion trap multistage mass spectrometry (MSn) experiments and density functional theory (DFT) calculations have been used to examine the mechanisms of the sequential decomposition reactions of copper cyanoacetate anions, [(NCCH2CO2)2Cu]−.

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