scholarly journals Reactivity and rotational spectra: the old concept of substitution effects

2020 ◽  
Vol 22 (20) ◽  
pp. 11490-11497 ◽  
Author(s):  
Sven Herbers ◽  
Philipp Buschmann ◽  
Juan Wang ◽  
Kevin Gregor Lengsfeld ◽  
K. P. Rajappan Nair ◽  
...  
Keyword(s):  
Internal Rotation ◽  
Substitution Effects ◽  
Methyl Groups ◽  
Quadrupole Moments ◽  
Rotational Spectra ◽  
Nuclear Quadrupole ◽  
Hyperfine Structures ◽  
Nuclear Quadrupole Moments

The internal rotation of methyl groups and nuclear quadrupole moments of the halogens Cl, Br, I in o-halotoluenes result in complex spectral fine and hyperfine structures in rotational spectra which can be related to qualitative concepts in chemistry.

The Microwave Spectrum of 2,6-Lutidine, Analysis of Internal Rotation and 14 N Hyperfine Structure

1993 ◽  
Vol 48 (11) ◽  
pp. 1093-1101 ◽  
Author(s):  
C. Thomsen ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Hyperfine Structure ◽  
Internal Rotation ◽  
Molecular Beam ◽  
Microwave Spectrum ◽  
Methyl Groups ◽  
Rotational Spectrum ◽  
Rotational Constants ◽  
Moments Of Inertia ◽  
Nuclear Quadrupole

Abstract The rotational spectrum of 2,6-lutidine, (CH3)2C5H3N, has been recorded between 6 and 26.5 GHz using pulsed molecular beam microwave Fourier transform spectroscopy. The rotational constants are A = 3509.7139(84) MHz, B = 1906.8639(101) MHz, and C = 1254.6215(14) MHz, the barrier to internal rotation of the two methyl groups is V3 = 1.1752 kJ/mol, their moments of inertia were found to be Iα = 3.0808(9) uÅ2 . The nitrogen nuclear quadrupole constants are χaa = +1.600(5) MHz, χbb = -4.572(3) MHz and χcc = +2.972(5) MHz.

The Rotational Spectra of Fluorinated Acetonitriles; 14N-nuclear Quadrupole Hyperfine Structures Measured with a Microwave Fourier Transform Spectrometer

1983 ◽  
Vol 38 (9) ◽  
pp. 1015-1021
Author(s):  
W. Kasten ◽  
H. Dreizler ◽  
Brian E. Job ◽  
John Sheridan
Keyword(s):  
Fourier Transform ◽  
Nitrogen Atom ◽  
Fourier Transform Spectroscopy ◽  
Coupling Constants ◽  
Fourier Transform Spectrometer ◽  
Rotational Spectra ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Hyperfine Splittings ◽  
Hyperfine Structures

Abstract The microwave spectra of CF3CN, CH2FCN, CHDFCN, CD2FCN and CHF2CN have been measured and analysed. The nuclear quadrupole hyperfine splittings due to 14N have been measured by Microwave Fourier Transform spectroscopy. The nuclear quadrupole coupling constants, transformed to the bonding axis systems of the C-C ≡ N groups, are shown to be in accord with structural predictions of the p-electron populations at the nitrogen atom.

Mössbauer studies and nuclear quadrupole moments of186, 188, 189, 190 Os

1972 ◽  
Vol 254 (2) ◽  
pp. 112-126 ◽  
Author(s):  
F. E. Wagner ◽  
H. Spieler ◽  
D. Kucheida ◽  
P. Kienle ◽  
R. Wäppling
Keyword(s):  
Quadrupole Moments ◽  
Mössbauer Studies ◽  
Nuclear Quadrupole ◽  
Nuclear Quadrupole Moments
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