Comparative sulfur dioxide infrared spectra: type I and II clathrate hydrate films, large gas-phase clusters, and anhydrous crystalline films

1990 ◽  
Vol 94 (18) ◽  
pp. 7032-7037 ◽  
Author(s):  
Fouad. Fleyfel ◽  
Hugh H. Richardson ◽  
J. Paul. Devlin
Keyword(s):  
Sulfur Dioxide ◽  
Gas Phase ◽  
Infrared Spectra ◽  
Clathrate Hydrate ◽  
Type I ◽  
Gas Phase Clusters ◽  
Crystalline Films

Infrared and Raman Spectra of Spiropentane-H8

1972 ◽  
Vol 26 (5) ◽  
pp. 540-542 ◽  
Author(s):  
G. R. Burns ◽  
D. G. McGavin
Keyword(s):  
Low Temperature ◽  
Infrared Spectrum ◽  
Gas Phase ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Sufficient Information ◽  
Infrared And Raman Spectra ◽  
Calorimetric Data ◽  
Crystalline Films ◽  
Twist Mode

Infrared and Raman spectra have been measured for spiropentane-H8. Raman spectra for the liquid have enabled the b1 species ring twist to be assigned. Previous assignments of this mode were based on calorimetric data and on the assignment of a band in the infrared spectrum to a combination band involving the ring twist mode. Infrared spectra of low temperature crystalline films have provided sufficient information that, when taken with the Raman data and gas phase infrared spectra, we have assignments for all of the fundamental modes.

Infrared Spectra and ab initio Calculations for Fluoride-acetylene Clusters: F - -(HCCH)n, n=3 - 6

2011 ◽  
Vol 64 (5) ◽  
pp. 633 ◽  
Author(s):  
Duncan A. Wild ◽  
Zoë M. Loh ◽  
Evan J. Bieske
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Infrared Spectra ◽  
Minimum Energy ◽  
Fluoride Anion ◽  
Strong Band ◽  
Gas Phase Clusters ◽  
Hydrogen Bonded

Infrared spectra and ab initio calculations are presented for gas phase clusters consisting of a fluoride anion attached to acetylene ligands. Spectra obtained in the C-H stretch region contain a single strong band, consistent with cluster structures in which roughly equivalent acetylene ligands are hydrogen bonded to a central fluoride anion core. Minimum energy structures predicted from ab initio calculations at the MP2 level of theory are highly symmetric with acetylene ligands equally spaced about a central fluoride anion core. The predicted H-bonded C-H stretching frequencies, after scaling to correct for anharmonicity, agree well with the experimental band positions.

scholarly journals Preparation and the Microwave and Infrared Spectra of Vinyl Ketene

1979 ◽  
Vol 34 (11) ◽  
pp. 1269-1274 ◽  
Author(s):  
Erik Bjarnov
Keyword(s):  
Dipole Moment ◽  
Gas Phase ◽  
Infrared Spectra ◽  
Room Temperature ◽  
Normal Modes ◽  
Spectroscopic Constants ◽  
Electrical Dipole ◽  
Electrical Dipole Moment ◽  
Vacuum Pyrolysis ◽  
Modes Of Vibration

Vinyl ketene (1,3-butadiene-1-one) has been synthesized by vacuum pyrolysis of 3-butenoic 2-butenoic anhydride. The microwave and infrared spectra of vinyl ketene in the gas phase at room temperature have been studied. The trans-rotamer has been identified, and the spectroscopic constants were found to be Ã= 39571(48) MHz, B̃ = 2392.9252(28) MHz, C̃ = 2256.0089(28) MHz, ⊿j = 0.414(31) kHz, and ⊿JK = - 34.694(92) kHz. The electrical dipole moment was found to be 0.987(23) D with μa = 0.865(14) D and μb = 0.475(41) D. A tentative assignment has been made for 17 of the 21 normal modes of vibration

scholarly journals IR photofragmentation of the phenyl cation: spectroscopy and fragmentation pathways

2021 ◽  
Vol 23 (7) ◽  
pp. 4334-4343
Author(s):  
Sandra D. Wiersma ◽  
Alessandra Candian ◽  
Joost M. Bakker ◽  
Giel Berden ◽  
John R. Eyler ◽  
...  
Keyword(s):  
Gas Phase ◽  
Spectral Range ◽  
Infrared Spectra ◽  
Fragmentation Pathways ◽  
Phenyl Cation

We present the gas-phase infrared spectra of the phenyl cation, phenylium, in its perprotio (C6H5+) and perdeutero (C6D5+) forms, in the 260–1925 cm−1 (5.2–38 μm) spectral range, and investigate the observed photofragmentation.

Gas phase infrared spectra and corresponding DFT calculations of , -diphenylpolyenes

2010 ◽  
Vol 259 (1) ◽  
pp. 11-15 ◽  
Author(s):  
Lars Biemann ◽  
Michaela Braun ◽  
Karl Kleinermanns
Keyword(s):  
Dft Calculations ◽  
Gas Phase ◽  
Infrared Spectra
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