Methyl nitrate, hydrazoic acid, and their conjugate acids. A configuration interaction study of the gas-phase proton transfer equilibrium and of acid-catalyzed fragmentation reactions

1992 ◽  
Vol 57 (18) ◽  
pp. 4976-4986 ◽  
Author(s):  
Rainer Glaser ◽  
Godwin Sik Cheung Choy
Keyword(s):  
Proton Transfer ◽  
Gas Phase ◽  
Configuration Interaction ◽  
Hydrazoic Acid ◽  
Interaction Study ◽  
Acid Catalyzed ◽  
Methyl Nitrate ◽  
Fragmentation Reactions

Configuration Interaction Study of the Low-Lying Electronic States of Silicon Monoxide

2003 ◽  
Vol 107 (1) ◽  
pp. 148-158 ◽  
Author(s):  
Surya Chattopadhyaya ◽  
Anjan Chattopadhyay ◽  
Kalyan Kumar Das
Keyword(s):  
Configuration Interaction ◽  
Electronic States ◽  
Silicon Monoxide ◽  
Interaction Study

Ab Initio Study of the Carbon-to-Carbon Identity Proton Transfer from Ketene to Its Anion in the Gas Phase

2001 ◽  
Vol 123 (10) ◽  
pp. 2430-2431 ◽  
Author(s):  
Claude F. Bernasconi ◽  
Philip J. Wenzel
Keyword(s):  
Proton Transfer ◽  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study

An experimental study of the reactivity of the hydroxide anion in the gas phase at room temperature, and its perturbation by hydration

1981 ◽  
Vol 59 (11) ◽  
pp. 1615-1621 ◽  
Author(s):  
Scott D. Tanner ◽  
Gervase I. Mackay ◽  
Diethard K. Bohme
Keyword(s):  
Experimental Study ◽  
Proton Transfer ◽  
Gas Phase ◽  
Rate Constants ◽  
Room Temperature ◽  
Gas Phase Reactions ◽  
Flowing Afterglow ◽  
Hydroxide Anion

Flowing afterglow measurements are reported which provide rate constants and product identifications at 298 ± 2 K for the gas-phase reactions of OH− with CH3OH, C2H5OH, CH3OCH3, CH2O, CH3CHO, CH3COCH3, CH2CO, HCOOH, HCOOCH3, CH2=C=CH2, CH3—C≡CH, and C6H5CH3. The main channels observed were proton transfer and solvation of the OH−. Hydration with one molecule of H2O was observed either to reduce the rate slightly and lead to products which are the hydrated analogues of the "nude" reaction, or to stop the reaction completely, k ≤ 10−12 cm3 molecule−1 s−1. The reaction of OH−•H2O with CH3—C≡CH showed an uncertain intermediate behaviour.

A quadratic configuration interaction study of the proton affinity of acetic acid

2002 ◽  
Vol 364 (5-6) ◽  
pp. 427-431 ◽  
Author(s):  
Charles E Miller ◽  
Joseph S Francisco
Keyword(s):  
Acetic Acid ◽  
Proton Affinity ◽  
Configuration Interaction ◽  
Interaction Study

Gas-phase proton-transfer reactions of the hydronium ion at 298 K

1979 ◽  
Vol 57 (12) ◽  
pp. 1518-1523 ◽  
Author(s):  
Gervase I. Mackay ◽  
Scott D. Tanner ◽  
Alan C. Hopkinson ◽  
Diethard K. Bohme
Keyword(s):  
Proton Transfer ◽  
Gas Phase ◽  
Rate Constants ◽  
Transfer Reactions ◽  
Flowing Afterglow ◽  
Hydronium Ion ◽  
Proton Transfer Reactions

Rate constants measured with the flowing afterglow technique at 298 ± 2 K are reported for the proton-transfer reactions of H3O+ with CH2O, CH3CHO, (CH3)2CO, HCOOH, CH3COOH, HCOOCH3, CH3OH, C2H5OH, (CH3)2O, and CH2CO. Dissociative proton-transfer was observed only with CH3COOH. The rate constants are compared with the predictions of various theories for ion–molecule collisions. The protonation is discussed in terms of the energetics and mechanisms of various modes of dissociation.

scholarly journals Functional Group Selective Derivatization and Gas-Phase Fragmentation Reactions of Plasmalogen Glycerophospholipids

2013 ◽  
Vol 2 (Special_Issue) ◽  
pp. S0015-S0015 ◽  
Author(s):  
Cassie J. Fhaner ◽  
Sichang Liu ◽  
Xiao Zhou ◽  
Gavin E. Reid
Keyword(s):  
Gas Phase ◽  
Functional Group ◽  
Fragmentation Reactions ◽  
Gas Phase Fragmentation

scholarly journals Reactions between neutral molecules and cation-radicals in the gas-phase: Can protonation occur without proton transfer?

2015 ◽  
Vol 390 ◽  
pp. 39-48
Author(s):  
Yury V. Vasil’ev ◽  
Douglas F. Barofsky ◽  
Joseph S. Beckman ◽  
Benjamin J. Bythell
Keyword(s):  
Proton Transfer ◽  
Gas Phase ◽  
Cation Radicals
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