Centrifugal Distortion and Internal Rotation Analysis in the Ground State of Trans N-Propanol

1981 ◽  
Vol 36 (11) ◽  
pp. 1187-1191 ◽  
Author(s):  
H. Dreizier ◽  
F. Scappini
Keyword(s):  
Internal Rotation ◽  
Potential Barrier ◽  
Ground State ◽  
Frequency Region ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Distortion Analysis

The ground state rotational spectrum of the trans n-propanol (CH3CH2CH2OH) has been reinvestigated expanding the frequency region, with respect to a previous study, from 8 to 40 GHz. A centrifugal distortion analysis has been carried out by measuring new transitions, including μa- transitions not observed before. The potential barrier V3 to the methyl top internal rotation has been determined from fourteen transitions which were found split into doublets. V3 is 2730 ± 60 cal/mole, ∢(i, a) = 29° ± 1°, assuming Ia = 3.193 uÅ2.

Determination of a High Potential Barrier Hindering Internal Rotation from the Ground State Spectrum. The Methylbarrier of Ethylbromide

1985 ◽  
Vol 40 (6) ◽  
pp. 575-587 ◽  
Author(s):  
J. Gripp ◽  
H. Dreizler ◽  
R. Schwarz
Keyword(s):  
Hyperfine Structure ◽  
Internal Rotation ◽  
Potential Barrier ◽  
Ground State ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Vibrational Ground State ◽  
Distortion Analysis ◽  
High Potential Barrier

For ethylbromide a determination of the parameters of internal rotation is given derived from the rotational spectrum of the torsional and vibrational ground state. The Br-hyperfine structure is reanalysed with higher precision. As high J transitions were measured a centrifugal distortion analysis was necessary.

Determination of a High Potential Barrier Hindering Internal Rotation from the Ground State Spectrum The Methylbarrier of cis-Propanal

1982 ◽  
Vol 37 (9) ◽  
pp. 1035-1037 ◽  
Author(s):  
J. A. Hardy ◽  
A. P. Cox ◽  
E. Fliege ◽  
H. Dreizler
Keyword(s):  
Internal Rotation ◽  
Potential Barrier ◽  
Ground State ◽  
Model Errors ◽  
Centrifugal Distortion ◽  
Methyl Group ◽  
Distortion Analysis ◽  
High Potential Barrier ◽  
Double Resonances

Abstract The barrier hindering internal rotation of the methyl group was determined by analysing the splittings of rotational lines in the ground state. So model errors are minimized. The assignment was checked by double resonances and a centrifugal distortion analysis.

scholarly journals Determination of a High Potential Barrier Hindering Internal Rotation from the Ground State Spectrum

1983 ◽  
Vol 38 (9) ◽  
pp. 1010-1014 ◽  
Author(s):  
W. Stahl ◽  
H. Dreizler ◽  
M. Hayashi
Keyword(s):  
Internal Rotation ◽  
Potential Barrier ◽  
Ground State ◽  
High Potential ◽  
Rotational Spectrum ◽  
High Potential Barrier

Abstract We present an analysis of the rotational spectrum of ethylchloride-35Cl in the ground state. The 35Cl-hfs analysis was extended and the barrier to internal rotation determined from narrow splittings of high J-transitions.

The rotational spectrum of acetone: Internal rotation and centrifugal distortion analysis

1986 ◽  
Vol 118 (2) ◽  
pp. 355-362 ◽  
Author(s):  
J.M. Vacherand ◽  
B.P. Van Eijck ◽  
J. Burie ◽  
J. Demaison
Keyword(s):  
Internal Rotation ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Distortion Analysis

Determination of a High Potential Barrier Hindering Internal Rotation from the Analysis of the Ground State Spectrum: The Case of Ethyl Cyanide

1980 ◽  
Vol 35 (11) ◽  
pp. 1136-1141 ◽  
Author(s):  
D. Boucher ◽  
A. Dubrulle ◽  
J. Demaison ◽  
H. Dreizler
Keyword(s):  
Internal Rotation ◽  
Potential Barrier ◽  
Ground State ◽  
High Potential ◽  
State Transitions ◽  
Rotational Spectrum ◽  
Barrier Potential ◽  
High Potential Barrier

Abstract The ground state rotational spectrum of ethyl cyanide has been reinvestigated between 8 and 250 GHz. The barrier potential V3 is calculated from 11 high J, ground state transitions which were found split into doublets. V3 is 3007 cal/mole, assuming Iα = 3.167 u Å2 and ∢ (i,a) = 48.65°. The splittings of the K-doublet transitious have also been analyzed.

Ground State Centrifugal Distortion Constants of Trans-Acrolein, CH2 = CH — CHO from the Microwave and Millimeter Wave Rotational Spectra 1,2

1975 ◽  
Vol 30 (8) ◽  
pp. 1001-1014 ◽  
Author(s):  
Manfred Winnewisser ◽  
Gisbert Winnewisser ◽  
T. Honda ◽  
E. Hirota
Keyword(s):  
Ground State ◽  
Vibrational State ◽  
Line Search ◽  
Frequency Region ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Rotational Spectra ◽  
Measured Absorption ◽  
Centrifugal Distortion Constants ◽  
Line Positions

Abstract The pure rotational spectrum of trans-acrolein in the ground vibrational state has been assigned in the frequency region from 8 GHz to 180 GHz. The measured absorption lines encompass a-type transitions from the qRK, qQ1, qQ2 branches and 6-type transitions from the rP0, rP1, rP2, rR0 brandies for values of J up to 23. The rotational constants have been refined and all quartic and sextic centrifugal distortion constants have been determined using Watson's reduced Hamiltonian. This information has been used to predict line positions of astrophysical interest to warrant the interstellar line search for trans-acrolein.

Millimeter Wave Rotational Spectrum and Centrifugal Distortion of Thioketene, H2C==C=S

1980 ◽  
Vol 35 (5) ◽  
pp. 483-489 ◽  
Author(s):  
Manfred Winnewisser ◽  
Eckhard Schäfer
Keyword(s):  
Dipole Moment ◽  
Ground State ◽  
Wavelength Region ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Millimeter Wavelength ◽  
Vibrational Ground State ◽  
Distortion Analysis ◽  
Centrifugal Distortion Constants

Abstract a-type rotational transitions of molecules in the vibrational ground state of thioketene, H2C=C=S, have been measured in the millimeter wavelength region. The measurements yielded improved rotational constants:A = 286 655(82) MHz,B = 5 659.47596(72) MHz,C = 5 544.51269(72) MHz.A detailed centrifugal distortion analysis by means of Watson's S-reduced Hamiltonian led to the determination of four quartic, two sextic and two higher order distortion constants:DJ = 1.08569(4) kHz, HJK = 0.716(20) Hz, DJK = 168.269(77) kHz, HKJ = -408.7(73) Hz, D1 = -25.46(68) Hz, LKJ = 0.65(24) Hz, d2 = - 5.21(35) Hz, SKJ = -0.0533(24) Hz. Effective rotational and centrifugal distortion constants using planarity conditions were calculated. The electric dipole moment of thioketene was determined to be μ = 1.01(3) D.

Analysis of Centrifugal Distortion Effects in the Rotational Spectrum of Formyl Fluoride

1981 ◽  
Vol 36 (10) ◽  
pp. 1057-1061 ◽  
Author(s):  
Harold Jones ◽  
Volker Typke
Keyword(s):  
Ground State ◽  
Vibrational State ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Distortion Analysis

The measurements of the ground state spectra of both HCOF and DCOF have been extended to high-J transition. The centrifugal distortion analysis clearly showed that in HCOF the inclusion of sextic terms is absolutely necessary, whereas the effects from this source in DCOF are smaller but not negligible. The planarity condition for the sextic terms was introduced to reduce the number of parameters. Spectra in the lowest vibrational state of both HCOF and DCOF were also treated.

Barrier to Internal Rotation, Centrifugal Distortion Analysis and Structural Considerations of Methanesulfenylchloride

1970 ◽  
Vol 25 (1) ◽  
pp. 18-25 ◽  
Author(s):  
Antonio Guarnieri
Keyword(s):  
Internal Rotation ◽  
Ground State ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Centrifugal Distortion ◽  
Distortion Analysis ◽  
Quadrupole Coupling

Abstract An investigation of the microwave spectrum of CH3SC1 35 in the excited torsional state has been carried out. The barrier to internal rotation and other connected parameters are thus obtained. A centrifugal distortion analysis of the microwave spectrum of CH3SC1 35 in the ground state is also performed to predict high J transitions. A /-"-structure and bond axis quadrupole coupling constants are also considered.

Centrifugal Distortion and Internal Rotation Analysis of the Rotational Spectrum of Methyl Thiocyanate

1986 ◽  
Vol 41 (5) ◽  
pp. 743-746 ◽  
Author(s):  
H. Maes ◽  
B. P. van Eijck ◽  
A. Dubrulle ◽  
J. Demaison
Keyword(s):  
Internal Rotation ◽  
Ground State ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Astrophysical Interest ◽  
Rotation Parameters ◽  
Methyl Thiocyanate

The ground state rotational spectrum of methyl thiocyanate has been investigated between 7 and 300 GHz (J ≦ 38 and K_ ≦ 25). An overall fit of the measurements using the Internal Axis Method has allowed us to accurately determine the internal rotation parameters. For the A substate effective rotational parameters are given which allow the calculation of transition frequencies of possible astrophysical interest.

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