• Keine Ergebnisse gefunden

Trifluoroacetic Acid; r0


Academic year: 2022

Aktie "Trifluoroacetic Acid; r0"


Wird geladen.... (Jetzt Volltext ansehen)



Trifluoroacetic Acid; r


-Structure, Partial Substitution Structure and Deuterium Nuclear Quadrupole Coupling Studied by Molecular Beam Microwave Fourier Transform Spectroscopy and by ab initio Calculations

S. Antolinez, J. L. Alonso, H. Dreizler


, E. Hentrop


, and D. H. Sutter

a Departamento de Quimica Fisica, Facultad de Ciencias, Universidad de Valladolid, 47005 Valladolid, Spain

aInstitut f¨ur Physikalische Chemie, Universit¨at Kiel, Olshausenstr. 40, D-24098 Kiel Reprint requests to Prof. D. H. S.; e-mail: sutter@phc.uni-kiel.de

Z. Naturforsch. 54 a, 524–538 (1999); received August 3, 1999

Dedicated to Prof. Dr. H. D. Rudolph, Ulm, on occasion of his 75thbirthday

We report the assignment and analysis of all stable monosubstituted isotopomers of trifluoroacetic acid. The13C and18O isotopomers were observed in natural abundance. The rotational constants and quartic centrifugal constants are presented. The rotational constants are used to derive a partial substitution structure and a complete r0structure for future comparison with the corresponding values in hydrogen bridged bimolecules containing trifluoroacetic acid as a subunit. The deuterium nuclear quadrupole coupling constants are derived from the hfs-splittings of low-J rotational transitions of the CF3COOD isotopomer. The results of ab initio quantum chemical calculations are presented, which were carried out to assist in the assignment of the rotational spectra of the isotopomers and for comparison with the experimental molecular parameters.

Key words: Microwave Spectroscopy; Structure; D-hfs; Vibrational Averaging;

ab initio Calculations.



3.3. FDIR and IR/fsMPI Spectra. The ground-state FDIR depletion spectrum measured by probing the fluorescence signal upon excitation of the band at 28061 cm -1 is shown in Figure

To identify the ET-1 signals in complex with its receptor, solution NMR experiments of unbound labelled ET-1 were conducted to assign the signals. Spectral assignments derived

(1996) proposed that Tyr 32 is extensively involved in the transition between the two active Ras conformations. This is supported by the finding that the mutation of

In the first part the cation self-diffusion dynamics of the room-temperature ionic liquid 1-N- butylpyridinium bis((trifluoromethyl)sulfonyl)imide ([BuPy][Tf 2 N]) within the

In the first part the cation self-diffusion dynamics of the room-temperature ionic liquid 1-N- butylpyridinium bis((trifluoromethyl)sulfonyl)imide ([BuPy][Tf 2 N]) within the

melanogaster FAS and enzymatic activity (S1); overview of NADPH turnover rates during biosynthesis of palmitic acid in metazoan FAS (S2); tilt correction in x- and

Coomassie stained SDS-PAGE and Western blot analysis identified the YdgR protein, and uptake experiments with the fluorescent dipeptide β-Ala-Lys-AMCA in bacterial cells

This work has been digitalized and published in 2013 by Verlag Zeitschrift für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under

With this arrangement, the lines are split into more or less resolved Doppler doublets with lines of an individual width of a few kHz depending on vari- ous parameters like

By use of Microwave Fourier transform Spectro- scopy [3, 4 ] we are able to increase the resolution of standard microwave spectroscopy because modula- tion and saturation

Schmid, Localization and Functional Characterization of Three Thylakoid Membrane Polypeptides of the Molecular Weight 66 000 .... Hasselbach,

The residue was stirred in diethyl ether (30 mL) for further 3 h, and the result- ing precipitate was filtered to give after recrystallization from DMSO/diethyl ether 3.5 g (75 %) of

a Department of Environmental Chemistry, Faculty of Engineering, Kyushu Kyoritsu University, 1Ð8 Jiyugaoka, Yahatanishi, Kitakyushu 807Ð8585, Japan.. b Department of

Induction of Hydroxycinnamic Acid Amides and Tryptophan by Jasmonic Acid, Abscisic Acid and Osmotic Stress in Barley Leaves.. Yuki Ogura, Atsushi Ishihara* and

The 35 Cl NQR spin-lattice re- laxation caused by the modulation of the EFG due to the motion of nearby ammonium ions was observed in the high-temperature phase of each compound..

[ -(Dichloromethylsilyl)ethyl]-dichloroborane-dimethylsulfide has been synthesized by the reaction of dichloromethylvinylsilane with dichloroborane-dimethylsulfide and its

We found new evidence for the excitonic character of the lowest interband excitation in the spin ladders and a spectral weight transfer from the CT region to low energy with

When the electronic wave functions can be written as a product of spin, orbital, and lattice degrees of freedom 12 , the selection rules and the temperature dependence of

Now, the nucleation rate of III-N growth under N-rich conditions with desorption can calculated as a function of substrate temperature and fluxes using the relations of section

First, to estimate inherent errors of the parallel beam electron diffraction (PBED) method, test diffraction patterns for GaAs in [053] zone axis have been simulated in frozen