Polarization Spectroscopy and ab Initio Study of Photooriented Matrix-Isolated Isotopomers of Phthalic Anhydride. Assignment of the Infrared Absorption Spectrum

1995 ◽  
Vol 99 (17) ◽  
pp. 6309-6316 ◽  
Author(s):  
Peter R. Biernacki ◽  
Piotr Kaszynski ◽  
B. Andes Hess ◽  
Erik W. Thulstrup ◽  
Juliusz G. Radziszewski
Keyword(s):  
Absorption Spectrum ◽  
Ab Initio ◽  
Phthalic Anhydride ◽  
Infrared Absorption ◽  
Infrared Absorption Spectrum ◽  
Ab Initio Study ◽  
Polarization Spectroscopy

Bent Cyclopenta-2,4-dienylideneketene: Spectroscopic and ab initio Study of Reactive Intermediate

1998 ◽  
Vol 63 (8) ◽  
pp. 1094-1106 ◽  
Author(s):  
Juliusz G. Radziszewski ◽  
Piotr Kaszynski ◽  
Anders Friderichsen ◽  
Jens Abildgaard
Keyword(s):  
Absorption Spectrum ◽  
Ab Initio ◽  
Phthalic Anhydride ◽  
Infrared Absorption ◽  
Triple Bond ◽  
Theoretical Study ◽  
Infrared Absorption Spectrum ◽  
Matrix Isolation ◽  
Reactive Intermediate ◽  
Ab Initio Study

Results of an experimental and theoretical study of cyclopenta-2,4-dienylideneketene (3), a highly unstable reactive intermediate, are reported. The ketene was prepared, under matrix isolation conditions at 4.2 or 10 K, by laser photocarbonylation of 1,2-didehydrobenzene (1) photogenerated earlier from phthalic anhydride (2). FTIR polarization measurements performed on partially photooriented samples of 3 immobilized in solid neon or argon provide infrared transition moment directions for most of the observed vibrations. Experimental results confirm that the ketene is bent, as predicted by ab initio calculations. Utilizing two isotopically modified 3, 3b and 3c, on the basis of the infrared absorption spectrum alone, we have analyzed and assigned its vibrations in a way, which leaves no doubt about the bent ketene structure. This work was motivated by a long standing confusion surrounding the assignments of the vibrations in 1,2-didehydrobenzene (1), especially of its "triple" bond stretch.

Infrared absorption spectrum of vanadyl pentaammoniate

1971 ◽  
Vol 15 (4) ◽  
pp. 1349-1351
Author(s):  
L. V. Kobets ◽  
N. I. Vorob'ev ◽  
V. V. Pechkovskii ◽  
A. I. Komyak
Keyword(s):  
Absorption Spectrum ◽  
Infrared Absorption ◽  
Infrared Absorption Spectrum

The infrared absorption spectrum of 18O-labelled nitrobenzene

1964 ◽  
Vol 20 (2) ◽  
pp. 179-185 ◽  
Author(s):  
S. Pinchas ◽  
D. Samuel ◽  
B.L. Silver
Keyword(s):  
Absorption Spectrum ◽  
Infrared Absorption ◽  
Infrared Absorption Spectrum
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