Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations

2015 ◽  
Vol 119 (32) ◽  
pp. 8647-8656 ◽  
Author(s):  
M. A. Śmiałek ◽  
M. Łabuda ◽  
J. Guthmuller ◽  
S. V. Hoffmann ◽  
N. C. Jones ◽  
...  
Keyword(s):  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Photoelectron Spectroscopy ◽  
Vacuum Ultraviolet ◽  
Electronic States

The Ã1A″(S1) excited electronic states of HCN and DCN: Isotopic evidence that unifies experiment and theory

1984 ◽  
Vol 62 (12) ◽  
pp. 1763-1774 ◽  
Author(s):  
G. A. Bickel ◽  
K. K. Innes
Keyword(s):  
High Resolution ◽  
Ab Initio ◽  
Absorption Spectra ◽  
Electronic Transition ◽  
Vacuum Ultraviolet ◽  
Electronic States ◽  
Excited Electronic States ◽  
Isotopic Shifts ◽  
Ab Initio Theory ◽  
First Time

High-resolution vacuum ultraviolet absorption spectra of D13CN and DC15N are photographed, especially for comparison with the so-called β–X system, observed previously for DCN but not for HCN. Isotopic shifts establish the absolute vibrational numbering for this system, yielding its assignment to the [Formula: see text] transition. The measured bands between 53 100 and 65 200 cm−1 are thereby accommodated by a single electronic transition as predicted by ab initio theory. Constants of all three Ã-state vibrations of HCN and each DCN are determined for the first time.

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