scholarly journals Molecular Parameters of Tert-Butyl Chloride and Its Isotopologues Determined from High-Resolution Rotational Spectroscopy

2020 ◽  
Vol 10 (21) ◽  
pp. 7650 ◽  
Author(s):  
Chao Jiao ◽  
Sheng-wen Duan ◽  
Yi Wu ◽  
Ming Sun ◽  
Qian Chen ◽  
...  
Keyword(s):  
Quadrupole Coupling Constant ◽  
Rotational Constant ◽  
Coupling Constant ◽  
Butyl Chloride ◽  
Spectral Parameters ◽  
Rotational Spectra ◽  
Tert Butyl ◽  
Quadrupole Coupling ◽  
Expansion Condition ◽  
Tert Butyl Chloride

A broadband chirped-pulse Fourier transform microwave spectrometer was used to detect the rotational spectra of the products of a chemical reaction in the gas phase from 1-18 GHz under the supersonic expansion condition. In natural abundance, pure rotational energy level transitions of tert-butyl chloride and its isotopologues (13C, 37Cl) were observed and assigned. The rotational spectral parameters (rotational constant, quadrupole coupling constant and centrifugal distortion constant) of these isotopologues were determined. The experimental results are in great agreement with the calculated values of quantum chemistry and the spectral parameters in the literature. The accuracy and the capability for chemical detection of our homemade rotational spectrometer were verified by this experiment.

Improved Rotational Constants and Dipole Moment and a Nuclear Quadrupole Coupling Analysis of 2-Cyanothiophene and Dipole Moment of 2-Cyanofurane

1977 ◽  
Vol 32 (2) ◽  
pp. 152-155 ◽  
Author(s):  
J. Wiese ◽  
L. Engelbrecht ◽  
H. Dreizler
Keyword(s):  
Dipole Moment ◽  
Stark Effect ◽  
Dipole Moments ◽  
Quadrupole Coupling Constant ◽  
Rotational Constant ◽  
Coupling Constant ◽  
Frequency Range ◽  
Effect Analysis ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Results of a microwave investigation of the molecules 2-Cyanothiophene and 2-Cyanofurane are reported. The microwave spectrum of 2-Cyanothiophene was examined in the frequency range of 13 -40 GHz mainly to get a more accurate rotational constant A from the assignment of μb-btransitions. From the resolved hyperfine structure due to nuclear quadrupole coupling of the 14N-nucleus the quadrupole coupling constant X+=Xbb + Xcc was determined for 2-Cyanothiophene. No information for X- was available from the measured transitions.From Stark effect studies the dipole moments were determined for both molecules. The nuclear quadrupole coupling as a perturbation of the second order Stark effect was included in the Stark effect analysis

Rotationskonstante und Kernquadrupolkopplungskonstante des Trimethylehlorsilans, bestimmt aus Mikrowellenspektren / Rotational Constant and Nuclear Quadrupole Coupling Constant of Trimethylchlorosilane, Determined by Microwave Spectrum

1973 ◽  
Vol 28 (7) ◽  
pp. 1230-1232
Author(s):  
Werner Zeil ◽  
Bernhard Haas
Keyword(s):  
Quadrupole Splitting ◽  
Quadrupole Coupling Constant ◽  
Rotational Constant ◽  
Microwave Spectrum ◽  
Coupling Constant ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

The microwave spectrum of trimethylchlorosilane has been investigated between 8 and 20 GHz. The quadrupole splitting of the K = 0 lines of the transitions J = 2 → 3 and 3 → 4 have been determined. The quadrupole coupling constant of the Cl-35 atom is determined to -34.701 MHz, and the rotational constant is determined to B0 = 2197.382 MHz.

scholarly journals Microwave and Millimeterwave Spectrum of Chlorofluoroacetylene (Cl—C≡C—F)

1981 ◽  
Vol 36 (8) ◽  
pp. 899-901 ◽  
Author(s):  
A. Guarnieri ◽  
M. Andolfatto
Keyword(s):  
Quadrupole Coupling Constant ◽  
Rotational Constant ◽  
Natural Abundance ◽  
Coupling Constant ◽  
Centrifugal Distortion ◽  
Quadrupole Coupling

Abstract The microwave and millimeterwave spectra of chlorofluoroacetylene 35 C1—C = C—F and 37 C1—C = C—F in natural abundance, have been investigated. The molecule has been found to be linear. The rotational constant, the centrifugal distortion constant Do and the chlorine quadrupole coupling constant have been determined. Some ro-structures have been calculated assuming different values for the C = C distance.

Molecular gᅩ-value, Magnetic Susceptibility Anisotropy, and Deuterium Quadrupole Coupling Constantin Deuterodiacetylene

1989 ◽  
Vol 44 (2) ◽  
pp. 89-94
Author(s):  
O. Böttcher ◽  
N. Heineking ◽  
M. Andolfatto ◽  
D. H. Sutter
Keyword(s):  
Magnetic Susceptibility ◽  
Coupling Effect ◽  
Zeeman Effect ◽  
Quadrupole Coupling Constant ◽  
Rotational Constant ◽  
Rotational Transition ◽  
Coupling Constant ◽  
Magnetic Susceptibility Anisotropy ◽  
Quadrupole Coupling ◽  
Constant E

Abstract The rotational Zeeman effect in the J′ → J = 2 → 1 rotational transition and the deuterium quadrupole coupling effect in the J′→J = 1 → 0 transition have been observed for D - C = C - C = C - H using a microwave Fourier transform (MWFT)-spectrometer.The molecular parameters determined are: rotational constant B0= 4084.452 MHz, deuterium quadrupole coupling constant e q Q (D) = 217(6) kHz, molecular gᅩ-value = 0.0073(1) and molecular magnetic susceptibility anisotropy (Xᅩ - X||) = 11.5(7) 10-6 erg G-2mol-1.

The High Resolution Rotational Spectrum of Silylbromide, SiH381Br

1977 ◽  
Vol 32 (12) ◽  
pp. 1444-1449 ◽  
Author(s):  
K.-F. Dössel ◽  
D. H. Sutter
Keyword(s):  
High Resolution ◽  
Quadrupole Coupling Constant ◽  
Rotational Constant ◽  
Rotational Spectrum ◽  
Coupling Constant ◽  
Hyperfine Transitions ◽  
Quadrupole Coupling ◽  
Nuclear Shielding ◽  
Shielding Tensor ◽  
Centrifugal Distortion Constants

Abstract The microwave spectrum of SiH381Br has been reanalysed in the frequency range 8-40 GHz under high resolution. From 64 observed hyperfine transitions improved values for the rotational constant B = 4292646.2(4) kHz and the quadrupole coupling constant eqQ = 279825(5) kHz were obtained. Furthermore the centrifugal distortion constants DJ = 1.81(1) kHz and DJK = 29.19(4) kHz and the spin-rotation constants CN = -2.32(40) kHz and CK = -34.2(11) kHz were determined. From the values of CN and CK the 81Br nuclear shielding tensor is calculated. An improved value of ∣μ∣ - 1.319(8) D is given for the molecular electric dipole-moment.

Nitrogen-14 Nuclear Quadrupole Coupling and Centrifugal Distortion of Pivalonitrile

1986 ◽  
Vol 41 (11) ◽  
pp. 1307-1310
Author(s):  
Eckhard Fliege ◽  
Helmut Dreizler ◽  
A. Peter Cox
Keyword(s):  
Quadrupole Coupling Constant ◽  
Rotational Constant ◽  
Coupling Constant ◽  
Centrifugal Distortion ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Constant E ◽  
Nuclear Quadrupole ◽  
Distortion Parameters ◽  
Cyano Compounds

The rotational transitions J' - J" = 1 - 0 , 2 - 1 , 3 - 2 , and 4 - 3 of pivalonitrile have been measured in the frequency range of 5 - 2 2 GHz with a microwave Fourier transform spectrometer. The 14N nuclear quadrupole coupling constant, e q Q, as well as the centrifugal distortion parameters, DJ and DJK, have been determined to be: e q Q = - 4.221(15) MHz; DJ = 0.349(56) kHz, DJK = - 3.68(15) kHz. The rotational constant B0 was fixed with high precision: B0 = 2749.9093(13) MHz. Nitrogen-14 quadrupole coupling in pivalonitrile is compared with that in other cyano compounds.

scholarly journals High-resolution laser spectroscopy on the A3Π ← X3Σ− transition of NH

1984 ◽  
Vol 62 (12) ◽  
pp. 1374-1391 ◽  
Author(s):  
W. Ubachs ◽  
J. J. ter Meulen ◽  
A. Dymanus
Keyword(s):  
High Resolution ◽  
Ground State ◽  
Quadrupole Coupling Constant ◽  
Coupling Constants ◽  
Coupling Constant ◽  
Rotational Spectra ◽  
Beam Laser ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
First Time

In a molecular beam, laser-induced fluorescence experiment, rotational spectra of the A3Π, ν = 0 ← X3Σ−, ν = 0 transition of the NH free radical were measured at 336 nm with high resolution. From more than 300 completely resolved hyperfine lines, the hyperfine structure of the A3Π excited state and the X3Σ− ground state could be analyzed. For the first time, the hyperfine coupling constants aN.H, bN.H, cN.H, dN.H, eQq1, and eQq2 in the A3Π state were determined. Also, the nuclear quadrupole coupling constant eQq1 in the X3Σ− ground state was obtained.

Microwave and Millimeterwave Spectrum of Bromofluoroacetylene (Br—C≡C—F)

1982 ◽  
Vol 37 (12) ◽  
pp. 1449-1453 ◽  
Author(s):  
M. Andolfatto ◽  
B. Kleibömer ◽  
A. Guarnieri
Keyword(s):  
Dipole Moment ◽  
Quadrupole Coupling Constant ◽  
Rotational Constant ◽  
Natural Abundance ◽  
Coupling Constant ◽  
Centrifugal Distortion ◽  
Electrical Dipole ◽  
Electrical Dipole Moment ◽  
Quadrupole Coupling ◽  
Centrifugal Distortion Constants

AbstractThe microwave and millimeterwave spectra of Bromofluoroacetylene 79Br-C ≡ C-F and 81Br-C ≡ C-F in natural abundance have been investigated. The molecule has been found to be linear. The rotational constant, the centrifugal distortion constants Do, the Bromine quadrupole coupling constant and the electrical dipole moment have been determined.Some r0-structures have been calculated assuming different values for the C ≡ C distance.

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