Vibration-induced electron detachment in acetaldehyde enolate anion

1989 ◽  
Vol 93 (1) ◽  
pp. 58-61 ◽  
Author(s):  
Douglas O'Neal ◽  
Jack Simons
Keyword(s):  
Electron Detachment ◽  
Enolate Anion

Structure and Electron Detachment Energies of Al3P-and Al3P3-

2002 ◽  
Vol 106 (24) ◽  
pp. 5932-5937 ◽  
Author(s):  
Edet F. Archibong ◽  
Alain St-Amant ◽  
Sor Koon Goh ◽  
Dennis Marynick
Keyword(s):  
Electron Detachment

Electron detachment/photodetachment dissociation of lasso peptides

2015 ◽  
Vol 390 ◽  
pp. 91-100 ◽  
Author(s):  
Marie Pérot-Taillandier ◽  
Carlos Afonso ◽  
Quentin Enjalbert ◽  
Rodolphe Antoine ◽  
Philippe Dugourd ◽  
...  
Keyword(s):  
Electron Detachment ◽  
Lasso Peptides

scholarly journals Theoretical Electronic and Rovibrational Studies for Anions of Interest to the DIBs

2013 ◽  
Vol 9 (S297) ◽  
pp. 344-348 ◽  
Author(s):  
R. C. Fortenberry
Keyword(s):  
Excited State ◽  
Excited States ◽  
State Of The Art ◽  
Spectroscopic Constants ◽  
Coupled Cluster ◽  
Electronic Excitations ◽  
Electronically Excited States ◽  
Coupled Cluster Theory ◽  
Electronically Excited ◽  
Enolate Anion

AbstractThe dipole-bound excited state of the methylene nitrile anion (CH2CN−) has been suggested as a candidate carrier for a diffuse interstellar band (DIB) at 803.8 nm. Its corresponding radical has been detected in the interstellar medium (ISM), making the existence for the anion possible. This work applies state-of-the-art ab initio methods such as coupled cluster theory to reproduce accurately the electronic excitations for CH2CN− and the similar methylene enolate anion, CH2CHO−. This same approach has been employed to indicate that 19 other anions may possess electronically excited states, five of which are valence in nature. Concurrently, in order to assist in the detection of these anions in the ISM, work has also been directed towards predicting vibrational frequencies and spectroscopic constants for these anions through the use of quartic force fields (QFFs). Theoretical rovibrational work on anions has thus far included studies of CH2CN−, C3H−, and is currently ongoing for similar systems.

Electron Detachment and Subsequent Structural Changes of Water Clusters

2016 ◽  
Vol 120 (7) ◽  
pp. 1065-1073 ◽  
Author(s):  
Susanta Das ◽  
Turbasu Sengupta ◽  
Achintya Kumar Dutta ◽  
Sourav Pal
Keyword(s):  
Structural Changes ◽  
Water Clusters ◽  
Electron Detachment
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