I4N Quadrupole Coupling in the Rotational Spectra of 2,2,2-Trifiuoroethylamine. Isopropylamine, and Aminoethanole

1991 ◽  
Vol 46 (6) ◽  
pp. 527-534 ◽  
Author(s):  
Ch. Keussen ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
High Resolution ◽  
Hyperfine Structure ◽  
Coupling Constants ◽  
Hydrogen Bridge ◽  
Bridge Bond ◽  
Rotational Spectra ◽  
Distinct Effect ◽  
Coupling Tensor ◽  
Quadrupole Coupling

Abstract We utilized the high resolution of microwave Fourier transform spectroscopy to investigate the 14N-hyperfine structure of trans-2,2,2-trifluoroethylamine, CF3CH2NH2, trans-isopropylamine, CH3CHNH2CH3, and aminoethanole, HOCH2CH2NH2, and the amino deuterated isotopomers trifluoroethylamine-d2 and isopropylamine-d2. The complete coupling tensor of trifluoroethylamine could be determined. We found that the fluorine atoms have a distinct effect on the nitrogen electronic surrounding of the named molecule, presumably through a hydrogen bridge bond between two of these atoms and the amino protons. For isopropylamine and aminoethanole wrong values of the coupling constants known in the literature could be corrected

Nitrogen and Deuterium Hyperfine Structure in the Rotational Spectrum of Piperidine

1989 ◽  
Vol 44 (9) ◽  
pp. 841-847 ◽  
Author(s):  
H. Ehrlichmann ◽  
J.-U. Grabow ◽  
H. Dreizler ◽  
N. Heineking ◽  
M. Andolfatto
Keyword(s):  
Fourier Transform ◽  
Hyperfine Structure ◽  
Fourier Transform Spectroscopy ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Rotational Spectra ◽  
Coupling Tensor ◽  
Quadrupole Coupling

Abstract We reinvestigated by microwave Fourier transform spectroscopy the rotational spectra of the axial and equatorial isotopomers of piperidine and N-deutero piperidine. The rotational, centrifugal, and nitrogen quadrupole coupling constants were improved, the deuterium quadrupole coupling constants were determined. The principal coupling tensor elements for nitrogen were estimated.

Investigation of the 14N Quadrupole Hyperfine Structure and the Stark Effect of Methyl Isocyanate and Methyl Isothiocyanate by Microwave Fourier Transform Spectroscopy

1986 ◽  
Vol 41 (4) ◽  
pp. 637-640 ◽  
Author(s):  
W. Kasten ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
High Resolution ◽  
Hyperfine Structure ◽  
Stark Effect ◽  
Dipole Moments ◽  
Fourier Transform Spectroscopy ◽  
Methyl Isocyanate ◽  
Methyl Isothiocyanate ◽  
Rotational Spectra ◽  
Coupling Tensor

The nitrogen 14N quadrupole hyperfine structure and the Stark effect in the rotational spectra of methyl isocyanate and methyl isothiocyanate were investigated by high resolution microwave Fourier transform spectroscopy.The components of the coupling tensor in the principal inertia axis system and the n a components of the dipole moments have been determined.

14N Quadrupole Coupling in the Rotational Spectra of Cyclopropylamine and Cyclopropyl Cyanide

1989 ◽  
Vol 44 (7) ◽  
pp. 655-658 ◽  
Author(s):  
Olaf Böttcher ◽  
Nils Heineking ◽  
Dieter Hermann Sutter
Keyword(s):  
Fourier Transform ◽  
Hyperfine Structure ◽  
Fourier Transform Spectroscopy ◽  
Coupling Constants ◽  
Rotational Spectra ◽  
Quadrupole Coupling

Abstract The 14N hyperfine structure in the rotational spectra of cyclopropylamine and cyclopropyl cyanide has been reinvestigated by microwave Fourier transform spectroscopy. The observed quadrupole coupling constants in units of MHz are: Xaa = 2.3338(18), Xbb = 1.7874(20), Xcc = −4.1209(20) for cyclopropylamine and Xaa = −3.4536(35), Xbb= 1.7468(51), Xcc= 1.7068(51) for cyclopropyl cyanide.

Nitrogen Quadrupole Hyperfine Structure in the Rotational Spectrum of 2-,3-,and 4-Fluoro-Benzonitrile.A Comparative High Resolution Microwave Fourier Transform Study

1988 ◽  
Vol 43 (1) ◽  
pp. 47-58 ◽  
Author(s):  
Olaf Böttcher ◽  
Dieter H. Sutter
Keyword(s):  
Fourier Transform ◽  
High Resolution ◽  
Hyperfine Structure ◽  
Experimental Technique ◽  
Cylindrical Symmetry ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Quadrupole Coupling ◽  
Distortion Parameters

Abstract A microwave Fourier transform study of the rotational spectrum of 3-fluoro-benzonitrile was carried out to study the 14N quadrupole coupling and to give improved rotational constants and centrifugal distortion parameters. In order to fully exploit the high resolution inherent to the experimental technique, frequencies, linewidths, intensities and phases were directly fitted to the observed transient emission signals. The quadrupole coupling constants are discussed in comparison to those of the related molecules 2-fluoro-benzonitrile, 4-fluoro-benzonitrile, and benzonitrile itself. For this comparison a sufficient number of hfs-patterns of the latter molecules was remeasured to derive coupling constants of comparable reliability. The four molecules may be grouped into two pairs. In benzonitrile and in 3-fluoro-benzonitrile the CN-bond shows a smaller deviation from cylindrical symmetry than in 2-and 4-fluoro-benzonitrile.

Nuclear Quadrupole Hyperfine Structure and Methyl Torsional Fine Structure in the Rotational Spectra of N,N-Dimethylformamide and N-Nitrosodimethylamine

1993 ◽  
Vol 48 (4) ◽  
pp. 570-576 ◽  
Author(s):  
N. Heineking ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Fine Structure ◽  
Hyperfine Structure ◽  
Internal Rotation ◽  
Amino Nitrogen ◽  
Coupling Constants ◽  
Methyl Group ◽  
Rotational Spectra ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract The complicated nuclear quadrupole hyperfine structure and methyl torsional fine structure in the rotational spectra of N,N-dimethylformamide and N-nitrosodimethylamine have been studied using microwave Fourier transform spectroscopy. It has been found that both molecules are rather similar in terms of their parameters of methyl group internal rotation as well as in terms of their amino nitrogen quadrupole coupling constants.

Nitrogen and Deuterium Hyperfine Structure in the Rotational Spectrum of Morpholine

1989 ◽  
Vol 44 (9) ◽  
pp. 833-836 ◽  
Author(s):  
J.-U. Grabow ◽  
H. Ehrlichmann ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Hyperfine Structure ◽  
Fourier Transform Spectroscopy ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Rotational Spectra ◽  
Quadrupole Coupling

Abstract We reinvestigated the rotational spectra of morpholine and N-deutero morpholine with the higher precision of microwave Fourier transform spectroscopy. The rotational, centrifugal, and nitrogen quadrupole coupling constants were improved and the deuterium quadrupole coupling constants determined.

scholarly journals Quadrupole Hyperfine Structure in the Rotational Spectra of 1,2- and 1,3-Dichlorobenzene

1990 ◽  
Vol 45 (11-12) ◽  
pp. 1273-1280 ◽  
Author(s):  
Ch. Keussen ◽  
H. Dreizler ◽  
I. Merke
Keyword(s):  
Fourier Transform ◽  
High Resolution ◽  
Hyperfine Structure ◽  
Vibrational State ◽  
Careful Analysis ◽  
Diagonal Element ◽  
Rotational Spectrum ◽  
Ground Vibrational State ◽  
Rotational Spectra ◽  
Coupling Tensor

AbstractThe high resolution of microwave Fourier transform spectroscopy was used to investigate the 35chlorine hyperfine structure of 1,2- and 1,3-dichlorobenzene, C6H435Cl2 , very accurately in the rotational spectrum of their ground vibrational state. The careful analysis with a new evaluation program also yielded the off-diagonal element of the coupling tensor. The tensor elements are χaa= -41.1153(35) MHz,χbb = 8.3415(96) MHz, χcc = 32.7738(61) MHz, and χab = ±52.41 (58) MHz for 1,2-dichlorobenzene and χaa= -44.174(12) MHz, χbb= 10.876(12) MHz, χcc = 33.298(12) MHz, and χab= ±48.181(39) MHz for 1,3-dichlorobenzene.

Hyperfine Structure in the Rotational Spectrum of tert-Butyl Bromide

1990 ◽  
Vol 45 (6) ◽  
pp. 807-810 ◽  
Author(s):  
H. Harder ◽  
W. Stahl ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Hyperfine Structure ◽  
Spin Rotation ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Butyl Bromide ◽  
Rotational Spectra ◽  
Tert Butyl ◽  
Quadrupole Coupling

AbstractWe reinvestigated the rotational spectra of tert-butyl bromide (CH3)3C79Br and (CH3)3C81Br, with the high precision of microwave Fourier transform spectroscopy. The rotational and quadrupole coupling constants were improved, the centrifugal distortion and bromine spin-rotation constants were determined

11Boron Quadrupole Hyperfine Structure in the Rotational Spectrum of Hydroxydifluoroborane

1989 ◽  
Vol 44 (12) ◽  
pp. 1191-1195 ◽  
Author(s):  
Kirsten Vormann ◽  
Helmut Dreizler
Keyword(s):  
Hyperfine Structure ◽  
Diagonal Element ◽  
Coupling Constants ◽  
Isotopic Substitution ◽  
Rotational Spectrum ◽  
Rotational Spectra ◽  
Coupling Tensor ◽  
Isotopic Species ◽  
Quadrupole Coupling

Abstract The 11B quadrupole hyperfine structure in the rotational spectra of three isotopic species of hydroxydifluoroborane, BF2OH, BF2OD, and BF218OH has been investigated and the quadrupole coupling constants of these species have been determined. Using the variation of the 11B quadrupole coupling constants with isotopic substitution, it has been possible to evaluate the complete quadrupole coupling tensor, including the off-diagonal element %ab, for each isotopic species.

scholarly journals Quadrupole Hyperfine Structure in the Rotational Spectra of Sulfuryl Chloride

1992 ◽  
Vol 47 (11) ◽  
pp. 1153-1156 ◽  
Author(s):  
Ilona Merke ◽  
Helmut Dreizler
Keyword(s):  
Fourier Transform ◽  
High Accuracy ◽  
Coupling Constants ◽  
Sulfuryl Chloride ◽  
Hamiltonian Matrix ◽  
Rotational Spectra ◽  
Coupling Tensor ◽  
Principal Axes ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract The nuclear quadrupole coupling of [35Cl,35Cl]- and [35Cl,37Cl]-sulfuryl chloride, SO2Cl2 was investigated using waveguide microwave Fourier transform (MWFT) spectroscopy. The analysis was performed with direct diagonalization of the Hamiltonian matrix. It was possible to determine the complete coupling tensor with high accuracy. SO235Cl2 : χaa ( 35Cl1) = χaa(35Cl2) = -33.049(6) MHz, χcc (35Cl1) = χcc (35Cl2) = 40.356 (9) MHz, χab (35Cl1) = - χab(35Cl2) = + 52.67 (63) MHz. SO235C137C1: xaa ( 35Cl)= -29.582(17) MHz, χcc(35Cl) = 40.340(25) MHz, χab(35Cl)= +52.3(14) MHz, χaa(37Cl)= -28.723(18) MHz, χcc(37Cl) = 31.822(28) MHz, χab,(37Cl) = + 37.3(19) MHz. We also determined the quadrupole coupling constants in their principal axes system. In comparison with the structure, the z-axis of the coupling tensor was found to be tilted 2.0° out off the S-Cl bond axis

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