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Your search keyword '"molecular beam Fourier transform microwave spectroscopy"' showing total 3 results
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3 results on '"molecular beam Fourier transform microwave spectroscopy"'

1. A contribution to the microwave spectrum and structure of phenylacetylene

Author

Dreizler, Helmut, Rudolph, Heinz Dieter, and Hartke, Bernd

Subjects
*MICROWAVES, *SPECTRUM analysis, *ELECTRIC equipment, *MOLECULAR structure
Abstract

We report a reinvestigation of the rotational spectrum of phenylacetylene (PhA, ethynylbenzene) by molecular beam Fourier transform microwave spectroscopy measuring the spectra of 39 isotopomers. All atomic positions could be singly substituted or in combinations with others. The hyperfine structure of the deuterated isotopomers could be partly resolved and evaluated. The inertial moments were employed to calculate the molecular structure using all recent methods, which take account of the rovibrational contributions to these moments as well as several different weighting schemes of the least-squares procedure. The experimental structure is confronted with the structures obtained by several purely theoretical quantum-mechanical calculations including the most adequate for the present task, the CCSD(T)/CBS method. [Copyright &y& Elsevier]

Published
2004
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2. Rotational Spectrum of Dichloromethane–Ne: Internal Dynamics and Cl Quadrupolar Hyperfine Effects

Author

Laura B. Favero, Walther Caminati, Assimo Maris, Laura Paltrinieri, DIPARTIMENTO DI CHIMICA 'GIACOMO CIAMICIAN', Facolta' di SCIENZE MATEMATICHE FISICHE e NATURALI, AREA MIN. 03 - Scienze chimiche, Da definire, Favero, Laura B., Maris, Assimo, Paltrinieri, Laura, and Caminati, Walther

Subjects
Physical and Theoretical Chemistry: dichloromethane - neon molecular complex, molecular beam Fourier transform microwave spectroscopy, tunnelling splittings, large amplitude motions, chlorine quadrupole coupling constants, large amplitude motions, tunnelling splittings, chlorine quadrupole coupling constants, tunneling splitting, Chemistry, Physical and Theoretical Chemistry: dichloromethane - neon molecular complex, Analytical chemistry, Furier trasform high resolution microwave spectroscopy, Planarity testing, Spectral line, symbols.namesake, Fourier transform, rare gas adduct, Quadrupole, symbols, Isotopologue, molecular beam Fourier transform microwave spectroscopy, Rotational spectroscopy, Physical and Theoretical Chemistry, Hyperfine structure, Molecular beam
Abstract

none 4 no The rotational spectra of three isotopologues, CH235Cl2···20Ne, CH235Cl37Cl···20Ne, and CH235Cl2···22Ne, of the complex dichloromethane-neon have been assigned and measured by molecular beam Fourier transform microwave spectroscopy. The corresponding tunnelling splittings-due to the motion of Ne from above to below the ClCCl plane-have been determined as E0+0- = 6.8900(5), 6.6630(4), and 6.3724(7) MHz, respectively. From these data the barrier to planarity has been obtained, B2 = 68.7 cm-1. In addition, the structure and the 35Cl (or 37Cl) quadrupole coupling constants have been determined. Favero, Laura B.; Maris, Assimo; Paltrinieri, Laura; Caminati, Walther Favero, Laura B.; Maris, Assimo; Paltrinieri, Laura; Caminati, Walther

Published
2015

3. Fourier Tranform Microwave Studies of Bi-Molecules of Carboxylic Acids

Author

EVANGELISTI, LUCA, FENG, GANG, GOU, QIAN, MARIS, ASSIMO, CAMINATI, WALTHER, L. Favero, E. Cocinero, P. Ejica, J. A. Hernandez, F. Castano, A. Lesarri, R. Meyer, L. Evangelisti, G. Feng, Q. Gou, A. Mari, W. Caminati, L. Favero, E. Cocinero, P. Ejica, J. A. Hernandez, F. Castano, A. Lesarri, and R. Meyer

Subjects
tunnelling splitting, molecular beam Fourier transform microwave spectroscopy, Nuclear Experiment, double proton transfer, hetero dimers of carboxylic acid
Abstract

We recorded the molecular beam Fourier transform microwave spectra of several isotopic species of several homo and hetero dimers of carboxylic acids (R-COOH). Several tunnelling splittings have been measured with the accuracy underlying microwave spectroscopy. These splittings have been originated by the concerted double proton transfer of the two protons, but in some cases also by internal motions within the R chain in R-COOH. When the splittings were due to the double proton transfer, they were considerably decreasing upon mono- or bi-deuteration of the two carboxylic protons. The splittings due to the proton transfer have been used to determine the barrier to the proton transfer by applying a flexible model suited to take into account the coupling of the proton motions with the skeletal motions. The potential energy surfaces of the lateral chain motions have also been estimated. A full frame structure has been determined for some bimolecules, obtaining details of the Ubbelohde effect associated to the double hydrogen bond.

Published
2012

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