Microwave Spectrum, Partial r0-Structure and 14N-Quadrupole Coupling Constants of 2-Cyanfurane

1976 ◽  
Vol 31 (6) ◽  
pp. 670-672 ◽  
Author(s):  
L. Engelbrecht ◽  
D. H. Sutter
Keyword(s):  
Nitrogen Atom ◽  
Electron Density ◽  
Cyano Group ◽  
Abundant Species ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Frequency Range ◽  
Rotational Constants ◽  
Quadrupole Coupling

The microwave spectrum of 2-Cyanfurane was investigated in the frequency range between 11 and 39 GHz. The rotational constants of the most abundant species indicate that the Cyano-group is bent toward the ring oxygen at the central C-atom. From the measured quadrupole coupling constants one may conclude that π-electron density is pulled from the ring toward the Nitrogen atom

THE MICROWAVE SPECTRUM OF DICHLOROFLUOROMETHANE

1964 ◽  
Vol 42 (4) ◽  
pp. 720-730 ◽  
Author(s):  
David B. McLay
Keyword(s):  
Bond Length ◽  
Hyperfine Structure ◽  
Charge Distribution ◽  
Tensor Component ◽  
Microwave Spectrum ◽  
Frequency Range ◽  
Rotational Constants ◽  
Coupling Tensor ◽  
Quadrupole Coupling ◽  
Out Of Plane

The microwave spectra of C12HFCl235 and C12HFCl35Cl37 have been measured in the frequency range from 10 to 35 Gc/s. Enough R branch and Q branch rotational transitions have been measured in each case to determine the rotational constants A = 6988.73 ± 0.02, B = 3307.25 ± 0.05, and C = 2350.03 ± 0.02 Mc/s for CHFCl235 and A = 6943.37 ± 0.05, B = 3219.58 ± 0.04, and C = 2300.57 ± 0.06 Mc/s for CHFCl35Cl37. The out-of-plane coordinate of Cl35 in the symmetric species has been deduced to be 1.4350 ± 0.0006 Å and, if the C–Cl bond length is assumed to be 1.750 ± 0.005 Å, then the Cl–C–Cl angle can be calculated to be 112.2 ± 0.5°. The analysis of the hyperfine structure has led to the values eQVaa = −41.0 ± 0.2 Mc/s, eQVbb = +11.37 ± 0.13 Mc/s, and eQVcc = 29.62 ± 0.13 Mc/s for the diagonal components of the quadrupole coupling tensor along the principal inertial axes. The results are consistent with a cylindrically symmetrical charge distribution around the C–Cl bond and a quadrupole coupling tensor component of eQVzz = −76.75 Mc/s in the direction of the bond. The only impurity in the sample, obtained from the Matheson Company, seems to have been a trace of HCCF for which the J = 0 → 1 transition has been measured.

Microwave Spectrum of Acetyl Cyanide in the Ground and Excited States. I

1976 ◽  
Vol 31 (7) ◽  
pp. 840-846
Author(s):  
F. Scappini ◽  
H. Dreizler
Keyword(s):  
Internal Rotation ◽  
Excited States ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Torsion Vibration ◽  
Quadrupole Coupling ◽  
Rotation Parameters

Abstract The microwave spectra of acetyl cyanide, CH3COCN, in the ground and in the two lowest excited states have been investigated. The rotational constants and the quadrupole coupling constants have been evaluated for all these states. The internal rotation parameters have been refined with respect to previous works. Evidence for a rotation-torsion -vibration interaction has been found in the spectra of the excited states.

The Centimeter and Millimeter Microwave Spectrum of 1,1-Difluoro-2-Chloroethylene

1993 ◽  
Vol 48 (3) ◽  
pp. 514-518 ◽  
Author(s):  
Luis A. Leal ◽  
J. C. López ◽  
J. L. Alonso ◽  
A. Guarnieri
Keyword(s):  
Microwave Spectrum ◽  
Coupling Constants ◽  
Centrifugal Distortion ◽  
Frequency Range ◽  
Coupling Analysis ◽  
Rotational Spectra ◽  
First Order ◽  
Isotopic Species ◽  
Quadrupole Coupling ◽  
Centrifugal Distortion Constants

Abstract The rotational spectra of both 35Cl and 37Cl 1,1-difluoro-2-chloroethylene isotopomers have been measured in the frequency range 12-225 GHz. A first order quadrupole coupling analysis has been performed for both isotopic species. The calculated quadrupole coupling constants for the 37Cl species not previously reported are χaa = - 49.2 (2), χbb = 14.2 (1), and χcc = 28.7 (1). Accurate rotational constants, quartic and some sextic centrifugal distortion constants have also been determined for both isotopomers from the fit to the observed central frequencies.

Mikrowellenspektrum und rotationsspektroskopische Konstanten der Methylchlorsilane: CH3SiH2Cl, CH3SiD2Cl und CD3SiD2Cl / Microwave Spectrum and Rotational Spectroscopic Constants of Methyl-chloro-silane: CH3SiH2Cl, CH3SiD2Cl and CD3SiD2Cl

1975 ◽  
Vol 30 (11) ◽  
pp. 1441-1446
Author(s):  
W. Zeil ◽  
W. Braun ◽  
B. Haas ◽  
H. Knehr ◽  
F. Rückert ◽  
...  
Keyword(s):  
Microwave Spectrum ◽  
Coupling Constants ◽  
Spectroscopic Constants ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Isotopic Species ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Centrifugal Distortion Constants

The microwave spectra of the following isotopic species of Methyl-chloro-silane: CH3SiH2Cl, CH3SiD2 and CD3SiD2Cl have been measured and the rotational spectroscopic constants (rotational constants, centrifugal distortion constants and nuclear quadrupole coupling constants) have been determined

Rotational Spectrum and 14N-Quadrupole Coupling Constants of Orthofluorobenzonitrile, a Microwave Fouriertransform Study

1986 ◽  
Vol 41 (7) ◽  
pp. 955-958 ◽  
Author(s):  
Olaf Böttcher ◽  
Dieter H. Sutter
Keyword(s):  
Fourier Transform ◽  
High Resolution ◽  
Vibrational State ◽  
Coupling Constants ◽  
Spectroscopic Constants ◽  
Fourier Transform Spectrometer ◽  
Rotational Spectrum ◽  
Frequency Range ◽  
Rotational Constants ◽  
Quadrupole Coupling

Seventyseven a-type rotational transitions of Orthofluorobenzonitrile were observed and assigned in the 8 - 25 GHz frequency range. The spectrum was recorded using the high resolution microwave Fourier transform spectrometer constructed at Kiel University. For most transitions the l4N quadrupole hfs patterns could be fully resolved. The spectroscopic constants obtained by a fit to the observed hfs-center frequencies and to the observed hfs multiplet splittings are: A = 2940.745(12) MHz, B = 1512.699(1) MHz, C = 998.633(1) MHz (rotational constants) and Χaa = - 4.114( 17) MHz, Xbb - Xcc= 0.383(34) MHz (14N quadrupole coupling constants). The rotational spectrum of a low lying vibrational state could be also assigned.

Microwave Spectrum of Chloroacetylene in Ground and Excited Vibrational States

1978 ◽  
Vol 33 (2) ◽  
pp. 156-163 ◽  
Author(s):  
Harold Jones ◽  
Michio Takami ◽  
John Sheridan
Keyword(s):  
Excited States ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Spectroscopic Constants ◽  
Frequency Range ◽  
Vibrational States ◽  
Vibrationally Excited ◽  
Rotational Spectra ◽  
Isotopic Species ◽  
Quadrupole Coupling

The microwave spectrum of chloroacetylene in the ground and excited states has been investigated in the frequency range 15 to 306 GHz. Ground state rotational and nuclear quadrupole coupling constants for twelve isotopic species of chloroacetylene and accurate distortion constants were determined for two of these. The data allowed the rs-structure of chloroacetylene to be reconsidered and the internal consistency of this method of structure determination to be checked. Rotational spectra in five vibrationally excited states, with energy up to 700 cm-1 were observed for four different isotopic species and spectroscopic constants for these states were derived.

Bromine Spin-Rotation Coupling Constants of Cyclopropylbromide-79Br and -81Br

1992 ◽  
Vol 47 (3) ◽  
pp. 507-510
Author(s):  
N. Heineking ◽  
J. Gripp ◽  
H Dreizler
Keyword(s):  
Fourier Transform ◽  
Fourier Transform Spectroscopy ◽  
Microwave Spectrum ◽  
Spin Rotation ◽  
Coupling Constants ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Diagonal Component ◽  
Quadrupole Coupling ◽  
Centrifugal Distortion Constants

AbstractWe reinvestigated the microwave spectrum of cyclopropylbromide with the increased resolution of pulsed microwave Fourier transform spectroscopy. Because of the higher frequency precision, it was possible to determine the spin-rotation coupling constants of bromine. Global fits of rotational constants, quartic centrifugal distortion constants, quadrupole coupling constants including the off-diagonal component χac , and spin-rotation coupling constants simultaneously to almost one hundred hyperfine components for each of the two bromine isotopomers resulted in overall standard deviations of well below 5 kHz

Zum Mikrowellenspektrum des Isobutyronitrils

1967 ◽  
Vol 22 (4) ◽  
pp. 543-545 ◽  
Author(s):  
G. E. Herberich
Keyword(s):  
Lower Bound ◽  
Internal Rotation ◽  
Barrier Height ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Methyl Groups ◽  
Kcal Mole ◽  
Rotational Constants ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

The microwave spectrum of isobutyronitrile has been investigated in the region from 5 — 30 GHz. A and C type transitions have been observed. No splittings due to internal rotation of the methyl groups could be detected and a lower bound of 2.6 kcal/mole for the barrier height is established.Values for the rotational constants are 7.940 95 ± 0.000 04, 3.968 039 ± 0.000 010 and 2.901 030 ± 0.000 010 GHz.The nuclear quadrupole coupling constants are χαα=—3.905±0.010 MHz, χbb=2.077±0.02 MHz and χcc=1.828±0.017 MHz.

Mikrowellenspektrum, Rotationskonstanten, Zentrifugalverzerrungskonstanten und Kernquadrupolkopplungskonstanten des CD3SiH2Cl. Über Bindungseigenschaften in Silicium-Halogeniden: 1. Mitteilung / Microwave spectrum, rotational constants, centrifugaldistortion constants and nuclear quadrupole coupling constants of CD3SiH2Cl

1972 ◽  
Vol 27 (7) ◽  
pp. 1150-1159 ◽  
Author(s):  
Werner Zeil ◽  
Richard Gegenheimer ◽  
Saskia Pferrer ◽  
Marwan Dakkouri
Keyword(s):  
Microwave Spectrum ◽  
Coupling Constants ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Isotopic Species ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract Microwave The microwave spectra of the following isotopic species of methylchloro-silane CD328SiH235Cl, CD329SiH235Cl, CD330SiH235Cl, CD328SiH237Cl have been measured and analyzed. The rotational constants, centrifugaldistortion constants and nuclear quadrupole coupling constants have been determined. The Si-Cl-distance is 2.049 Å respectively 2.052 Å as calculated by the rs method. The corresponding angles between the siliconchlorine-bond and the inertia-axis a are Θ = 26°53' respectively 26°49'

Das Rotationsspektrum des IBr / Rotational Spectrum of IBr

1975 ◽  
Vol 30 (8) ◽  
pp. 986-991 ◽  
Author(s):  
E. Tiemann ◽  
Th. Möller
Keyword(s):  
Hyperfine Structure ◽  
Rotational Transition ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Vibrational States ◽  
Hyperfine Parameters ◽  
Rotational Constants ◽  
Quadrupole Coupling

AbstractThe microwave spectrum of IBr was measured in the low rotational transition J = 3 ← 2 in order to resolve the hyperfine structure as completely as possible. Rotational constants and quadrupole coupling constants were derived for both nuclei. The observation of the rotational spectrum in different vibrational states yields the vibrational dependence of the rotational constants as well as of the hyperfine parameters. The Dunham potential coefficients a0, a1, a2, a3 are given.

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