Theoretical Study on the Electronic States of Formylcarbene (HC·CHO) and Triplet Ketene (H2CCO) and the Ultraviolet Absorption Spectra Attributable to These Molecules

2008 ◽  
Vol 112 (18) ◽  
pp. 4399-4404 ◽  
Author(s):  
Rajat K. Chaudhuri ◽  
S. L. N. G. Krishnamachari
Keyword(s):  
Absorption Spectra ◽  
Theoretical Study ◽  
Electronic States ◽  
Ultraviolet Absorption

A theoretical study of the ultraviolet absorption spectra of biphenyl

1968 ◽  
Vol 25 (1) ◽  
pp. 111-114 ◽  
Author(s):  
B. Tinland
Keyword(s):  
Absorption Spectra ◽  
Theoretical Study ◽  
Ultraviolet Absorption

THE LOWER EXCITED STATES OF SOME SIMPLE MOLECULES

1958 ◽  
Vol 36 (1) ◽  
pp. 10-23 ◽  
Author(s):  
R. S. Mulliken
Keyword(s):  
Absorption Spectra ◽  
Excited States ◽  
Strong Evidence ◽  
Electronic States ◽  
Ultraviolet Absorption ◽  
Mo Calculations ◽  
New Interpretation ◽  
Simple Molecules ◽  
Scf Calculations ◽  
Lcao Mo

The present and prospective rapidly increasing usefulness of good LCAO-MO calculations on the electronic states of simple molecules in the interpretation of observed excited states is pointed out. As examples, the observed and predicted states of, in particular, the π3π configurations of N2 and CO are compared with those of C2H2 and HCN and with those of CO2 and CS2. Further, the results of LCAO-SCF calculations on CO2 and on O3 are surveyed, and it is shown how these can be helpful in interpreting and understanding the ground and excited states of AB2 (expecially AO2) molecules in general. A new interpretation of the so-called d3П state of CO as a case b πu3πg, 3Δu state is proposed. Tentative interpretations of some of the ultraviolet absorption spectra of C2H2, HCN, and of a number of AB2 molecules are reviewed or suggested, including some discussion of the shapes of excited states. The AB2 discussion is a revision of one given earlier. Finally, following up a suggestion of Coon, it is pointed out that there exists strong evidence for slightly unequal A—O distances in certain excited states of C1O2 and SO2.

Theoretical Study of Ultraviolet Absorption Spectra of Tetra- and Pentacoordinate Silicon Compounds

2000 ◽  
Vol 104 (21) ◽  
pp. 4928-4935 ◽  
Author(s):  
Chizuru Muguruma ◽  
Nobuaki Koga ◽  
Yasuo Hatanaka ◽  
Ibrahim El-Sayed ◽  
Masuhiro Mikami ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
Theoretical Study ◽  
Ultraviolet Absorption ◽  
Silicon Compounds ◽  
Pentacoordinate Silicon

Near-IR Absorption Spectra for the Buckminsterfullerene Anions: An Experimental and Theoretical Study

1992 ◽  
Author(s):  
Del R. Lawson ◽  
Daniel L. Feldheim ◽  
Colby A. Foss ◽  
Peter K. Dorhoug ◽  
C. M. Elliott
Keyword(s):  
Absorption Spectra ◽  
Theoretical Study ◽  
Ir Absorption ◽  
Near Ir ◽  
Ir Absorption Spectra

The structure and ultraviolet absorption spectra of isothiocyanates of 4-substituted diphenyl sulphides, sulphoxides and sulphones

1969 ◽  
Vol 34 (12) ◽  
pp. 4005-4010 ◽  
Author(s):  
M. Uher ◽  
P. Kristian ◽  
T. Sticzay ◽  
K. Antoš
Keyword(s):  
Absorption Spectra ◽  
Ultraviolet Absorption

FAR ULTRAVIOLET ABSORPTION SPECTRA OF N3AND N2+GENERATED BY ELECTRONS IMPACTING GASEOUS N2

2013 ◽  
Vol 779 (1) ◽  
pp. 40 ◽  
Author(s):  
Yu-Jong Wu ◽  
Hui-Fen Chen ◽  
Shiang-Jiun Chuang ◽  
Tzu-Ping Huang
Keyword(s):  
Absorption Spectra ◽  
Ultraviolet Absorption ◽  
Far Ultraviolet
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