Application of Watson's centrifugal distortion theory to water and light asymmetric tops. General methods. Analysis of the ground state and the ν2 state of D2O16

1973 ◽  
Vol 45 (1) ◽  
pp. 10-34 ◽  
Author(s):  
Guy Steenbeckeliers ◽  
Jean Bellet
Keyword(s):  
Ground State ◽  
Centrifugal Distortion ◽  
Asymmetric Tops

Preferred Rotameric Conformations of Isobutyraldehyde, Their Dipole Moments and Vibrationally Excited States by Microwave Spectroscopy

1986 ◽  
Vol 41 (3) ◽  
pp. 483-490 ◽  
Author(s):  
O. L. Stiefvater
Keyword(s):  
Oxygen Atom ◽  
Excited States ◽  
Ground State ◽  
Dipole Moments ◽  
Microwave Spectroscopy ◽  
Centrifugal Distortion ◽  
Gauche Conformation ◽  
Vibrationally Excited ◽  
Trans Conformation ◽  
Centrifugal Distortion Constants

The earlier prediction of the preferred and the less stable rotameric conformations of isobutyraldehyde, (CH3)2CHCHO, has been confirmed experimentally by microwave spectroscopy. The compound exists mainly in a gauche conformation, in which one of the methyl groups is eclipsed by the oxygen atom, and the less stable rotamer is the trans conformation, in which the oxygen atom eclipses the isopropyl hydrogen.Ground state rotational constants (in MHz) and centrifugal distortion constants (in kHz), together with dipole moments (in D), are:Rotation spectra due to three torsionally excited states of each rotamer have been identified, along with satellites arising from CH3 internal rotation and CC2 wagging.

scholarly journals Millimeter Wave Spectrum and Centrifugal Distortion Analysis of Difluorochloromethane CHF2Cl in the Ground State

1990 ◽  
Vol 45 (9-10) ◽  
pp. 1165-1168 ◽  
Author(s):  
R. Spiehl ◽  
A. Guarnieri
Keyword(s):  
Millimeter Wave ◽  
Ground State ◽  
Wave Spectrum ◽  
Sixth Order ◽  
Centrifugal Distortion ◽  
Rotational Spectra ◽  
Vibrational Ground State ◽  
Distortion Analysis

Abstract The rotational spectra of CHF235Cl and CHF237Cl (CFC22) in the vibrational ground state between 42 and 214 GHz are reported. A centrifugal distortion analysis up to the sixth order is carried out.

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.

Erratum

1986 ◽  
Vol 404 (1826) ◽  
pp. 147-147 ◽  
Keyword(s):  
Hydrogen Bonding ◽  
Gas Phase ◽  
Ground State ◽  
Hyperfine Coupling ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Spectroscopic Investigations ◽  
Hydrogen Bonding Interactions ◽  
Hydrogen Bonded

Proc. R. Soc. Lond. A 401, 327-347 (1985) Spectroscopic investigations of hydrogen bonding interactions in the gas phase. X. Properties of the hydrogen-bonded heterodimer HCN⋯HF determined from hyperfine coupling and centrifugal distortion effects in its ground-state rotational spectrum By A. C. Legon, D. J. Millen and L. C. Willoughby On p. 327, at the end of the abstract, for 0.14 Å read 0.014 Å. On p. 343, line 7, for 0.025 Å read 0.014 Å. On p. 344, line 27, for 25.4° read 21.7°; line 33, for 6.6° read 2.9°. On p. 347, line 12, for 0.025 Å read 0.014 Å.

scholarly journals Tunable Diode Laser Spectra and Assignment of the 748 cm-1 Band of Propane

1989 ◽  
Vol 44 (4) ◽  
pp. 316-324 ◽  
Author(s):  
G. Gassler ◽  
B. Reißenauer ◽  
W. Hüttner
Keyword(s):  
Fourier Transform ◽  
Diode Laser ◽  
Ground State ◽  
Quantum States ◽  
Rotational Structure ◽  
Tunable Diode Laser ◽  
Ftir Spectrum ◽  
Centrifugal Distortion ◽  
Low Resolution ◽  
Centrifugal Distortion Constants

Abstract The rotational structure of the 748 cm-1 c-type CH2-rocking fundamental of propane was analysed using tunable diode laser (TDL) techniques. On grounds of a low-resolution Fourier transform (FTIR) spectrum and of the known ground-state rotational and centrifugal-distortion constants, some 700 transitions were measured and assigned in several regions of the band. The upper-state constants determined in this way allow the prediction of rovibrational frequencies to within 0.003 cm-1, covering quantum states up to J = 50 and Ka = 20. The band appears unperturbed.

The Microwave Ground State Spectra of Methylphosphine-Borane-(11B) and Methylphosphine-Trideuteroborane-(11B)

1986 ◽  
Vol 41 (6) ◽  
pp. 835-854
Author(s):  
W. Kasten ◽  
H. Dreizler ◽  
R. L. Kuczkowski ◽  
M. Soltis LaBarge
Keyword(s):  
Fourier Transform ◽  
Fine Structure ◽  
Ground State ◽  
Bond Order ◽  
Fourier Transform Spectroscopy ◽  
Centrifugal Distortion ◽  
Distortion Analysis ◽  
Nuclear Quadrupole ◽  
Hyperfine Splittings

The microwave ground state spectra of methylphosphine-borane-(11B) and methylphosphinetrideuteroborane-(11B) have been measured by microwave Fourier transform spectroscopy and analysed for 11B-nuclear quadrupole hyperfine splittings and CH3 and BH3 torsion fine structure. As high J transitions were measured a centrifugal distortion analysis was necessary. The B-P bond order is discussed.

The microwave spectrum and structure of bromine thiocyanate, BrSCN

1987 ◽  
Vol 65 (10) ◽  
pp. 2478-2488 ◽  
Author(s):  
H. M. Jemson ◽  
W. Lewis-Bevan ◽  
M. C. L. Gerry
Keyword(s):  
Force Field ◽  
Ground State ◽  
Structural Parameters ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Centrifugal Distortion ◽  
Harmonic Force ◽  
Microwave Spectra ◽  
Quadrupole Coupling ◽  
State Average

The microwave spectra of 79BrSCN and 81BrSCN have been measured and analysed to give rotational, centrifugal distortion, and Br quadrupole coupling constants. The molecule has been shown unambiguously to be BrSCN rather than BrNCS. A harmonic force field has been determined from combined vibrational and distortion data. With structural parameters for the SCN chain transferred from S(CN)2, both effective and ground state average values for the BrS length and BrSC angle have been estimated. The Br quadrupole tensor has been diagonalized, and the BrS bond is shown not to be bent.

Sign in / Sign up

Export Citation Format

Share Document