MICROWAVE SPECTRA FOR THE TWO CONFORMERS OF PROPENE-3-d1 AND NEW ROTATIONAL CONSTANTS FOR THESE SPECIES

2016 ◽  
Author(s):  
Norman Craig ◽  
Michael Tubergen ◽  
Ranil Gurusinghe
Keyword(s):  
Rotational Constants ◽  
Microwave Spectra

Mikrowellenspektrum und Struktur von Fluortribromsilan und Methyltribromsilan

1968 ◽  
Vol 23 (11) ◽  
pp. 1819-1821 ◽  
Author(s):  
M. Mitzlaff ◽  
R. Holm ◽  
H. Hartmann
Keyword(s):  
Least Squares ◽  
Internal Rotation ◽  
Kcal Mole ◽  
Rotational Constants ◽  
Methyl Group ◽  
Microwave Spectra ◽  
Group A

The microwave spectra of SiFBr3 and CH3SiBr have been investigated in the region from 30 to 40 GHz. Assuming reasonable values for dSi-F, dSi-C and the methyl group a least squares analysis of the rotational constants yieldsdSi-Br ≮Br—Si—BrSiFBr3 (2,171 ± 0,001) A (111,36 ± 0,15)°,CH3SiBr3 (2,175±0,001) A (111,09±0,15)°.A barrier to internal rotation of about 1 kcal/mole is estimated by the intensity method.

scholarly journals Microwave Spectra of Furazan. III. Rotation Spectra of Vibrationally Excited States

1990 ◽  
Vol 45 (9-10) ◽  
pp. 1117-1130
Author(s):  
Otto L. Stiefvater
Keyword(s):  
Excited States ◽  
Heterocyclic Compound ◽  
Microwave Spectroscopy ◽  
Vibrational Modes ◽  
Vibrationally Excited ◽  
Rotational Constants ◽  
Rotational Spectra ◽  
Microwave Spectra

Abstract The pure rotational spectra of molecules in 21 vibrationally excited states of the heterocyclic compound furazan (C2H2N2O) have been detected and studied by DRM microwave spectroscopy. Rotational parameters are reported for the 12 fundamental levels below 1500 cm-1 , and the contri-butions from 10 vibrational modes to the effective rotational constants and to the inertia defect of furazan are calculated.

Microwave Spectrum of Acetyl Cyanide in the Ground and Excited States. I

1976 ◽  
Vol 31 (7) ◽  
pp. 840-846
Author(s):  
F. Scappini ◽  
H. Dreizler
Keyword(s):  
Internal Rotation ◽  
Excited States ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Torsion Vibration ◽  
Quadrupole Coupling ◽  
Rotation Parameters

Abstract The microwave spectra of acetyl cyanide, CH3COCN, in the ground and in the two lowest excited states have been investigated. The rotational constants and the quadrupole coupling constants have been evaluated for all these states. The internal rotation parameters have been refined with respect to previous works. Evidence for a rotation-torsion -vibration interaction has been found in the spectra of the excited states.

The microwave spectrum and structure of phosphaethene, CH2=PH

1981 ◽  
Vol 34 (3) ◽  
pp. 465 ◽  
Author(s):  
RD Brown ◽  
PD Godfrey ◽  
D McNaughton
Keyword(s):  
Dipole Moment ◽  
Structural Parameters ◽  
Microwave Spectrum ◽  
Rotational Constants ◽  
Moments Of Inertia ◽  
Microwave Spectra ◽  
Isotopic Species

The microwave spectra of phosphaethene (methylenephosphine) and five of its isotopic species have been observed and assigned in the region 5-125 GHz. Rotational constants and moments of inertia have been determined for 12CH2PH, 13CH2PH, 12CD2PD, 12CD2PH, (Z)-12CHDPH and (E)-12CHDPH. The moments of inertia have been used to determine the following structural parameters: rP-H= 1.425�; rC-P= 1.671�; rC-H,= 1.082�; <HCP(Z) = 124.5�; <HCP(E) = 119.1�; <CPH = 95.5�. The dipole moment components have been determined as �a = 0.7233(7) D and �b = 0.4657(ll) D.

Mikrowellenspektrum, Hinderungspotential der internen Rotation und teilweise r0-Struktur des para-Chlortoluols

1967 ◽  
Vol 22 (5) ◽  
pp. 761-764 ◽  
Author(s):  
G. E. Herberich
Keyword(s):  
Internal Rotation ◽  
Structural Parameters ◽  
Rotational Constants ◽  
Methyl Group ◽  
Microwave Spectra ◽  
Isotopic Species ◽  
Nuclear Quadrupole

The rotational microwave spectra of the two chlorine isotopic species of para-chlorotoluene have been measured in the region from 8.4—11.3 GHz. Values for the rotational constants and for the nuclear quadrupole constants have been determined. The barrier to internal rotation of the methyl group is V6 = 13.93 ± 0.04 cal/mole. Two structural parameters have been estimated, namely 1.394 Å for the average ring C — C distance and 1.74 ± 0.01 A for the C — Cl distance.

Mikrowellenspektrum und rotationsspektroskopische Konstanten der Methylchlorsilane: CH3SiH2Cl, CH3SiD2Cl und CD3SiD2Cl / Microwave Spectrum and Rotational Spectroscopic Constants of Methyl-chloro-silane: CH3SiH2Cl, CH3SiD2Cl and CD3SiD2Cl

1975 ◽  
Vol 30 (11) ◽  
pp. 1441-1446
Author(s):  
W. Zeil ◽  
W. Braun ◽  
B. Haas ◽  
H. Knehr ◽  
F. Rückert ◽  
...  
Keyword(s):  
Microwave Spectrum ◽  
Coupling Constants ◽  
Spectroscopic Constants ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Isotopic Species ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Centrifugal Distortion Constants

The microwave spectra of the following isotopic species of Methyl-chloro-silane: CH3SiH2Cl, CH3SiD2 and CD3SiD2Cl have been measured and the rotational spectroscopic constants (rotational constants, centrifugal distortion constants and nuclear quadrupole coupling constants) have been determined

Microwave spectrum of trans-1-methoxy-1,3-butadiene

1977 ◽  
Vol 55 (19) ◽  
pp. 3480-3486 ◽  
Author(s):  
R. Kewley ◽  
S. C. Dass
Keyword(s):  
Vibrational State ◽  
Microwave Spectrum ◽  
The Other ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Ground Vibrational State ◽  
Microwave Spectra ◽  
Trans Conformer ◽  
Distortion Parameters

The microwave spectra of two conformers of 1-methoxy-1,3-butadiene have been studied in the 18 to 40 GHz region. One conformer is the s-trans conformer of trans-1-methoxy-1,3-butadiene. The other is most likely the corresponding s-cis conformer. The rotational constants for the ground vibrational state are (in MHz) s-trans: A = 24 524(16); B = 1336.51(1); C = 1277.76(1); s-cis: A = 12 642.73(23); B = 1607.61(1); and C = 1439.64(1). The centrifugal distortion parameters DJK and DJ have also been determined for each conformer.For the s-trans conformer two series of torsional satellites have been found which are assigned as O—CH torsion with frequency 60(20) cm−1 and =C—C= torsion, frequency 80(30) cm−1. For the s-cis conformer one series of satellites has been observed, which has been assigned to =C—C= torsion, of frequency 103(30) cm−1.

The Microwave Spectrum, Dipole Moment, and Structure of Glycidol

1975 ◽  
Vol 53 (15) ◽  
pp. 2247-2251 ◽  
Author(s):  
W. V. F. Brooks ◽  
K. V. L. N. Sastry
Keyword(s):  
Hydrogen Bonding ◽  
Dipole Moment ◽  
Hydrogen Atom ◽  
Microwave Spectrum ◽  
Centrifugal Distortion ◽  
Total Dipole Moment ◽  
Hindered Rotation ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Centrifugal Distortion Constants

The microwave spectra of glycidol [Formula: see text] and its deuterated (—OD) form have been studied in the range 8–40 GHz. The rotational (in MHz) and centrifugal distortion constants (in kHz) of glycidol are: A = 10 347.87, B = 4102.36, C = 3781.95; ΔJ = 2.38, ΔJK = −311, ΔK = 5.2, δJ = 0.3159, δK = −9.76. The rotational constants and distortion constants of glycidol (OD) are A = 10 010.31, B = 4056.73, C = 3717.02; ΔJ = 2.53, ΔJK = 197, ΔK = 7.7,δJ = 0.3532,δK = −7.19. The dipole moment components of the normal molecule in Debye units are μa = 0.61, μb = 1.20, μc = 0.52, and the total dipole moment is 1.44 D.A structure is derived with the alcoholic hydrogen atom close (2.5 Å) to the ring oxygen. The structure and the absence of signs of free or hindered rotation, can be accounted for by hydrogen bonding between the proton and the ring oxygen.

Mikrowellenspektrum, Rotationskonstanten, Zentrifugalverzerrungskonstanten und Kernquadrupolkopplungskonstanten des CD3SiH2Cl. Über Bindungseigenschaften in Silicium-Halogeniden: 1. Mitteilung / Microwave spectrum, rotational constants, centrifugaldistortion constants and nuclear quadrupole coupling constants of CD3SiH2Cl

1972 ◽  
Vol 27 (7) ◽  
pp. 1150-1159 ◽  
Author(s):  
Werner Zeil ◽  
Richard Gegenheimer ◽  
Saskia Pferrer ◽  
Marwan Dakkouri
Keyword(s):  
Microwave Spectrum ◽  
Coupling Constants ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Isotopic Species ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract Microwave The microwave spectra of the following isotopic species of methylchloro-silane CD328SiH235Cl, CD329SiH235Cl, CD330SiH235Cl, CD328SiH237Cl have been measured and analyzed. The rotational constants, centrifugaldistortion constants and nuclear quadrupole coupling constants have been determined. The Si-Cl-distance is 2.049 Å respectively 2.052 Å as calculated by the rs method. The corresponding angles between the siliconchlorine-bond and the inertia-axis a are Θ = 26°53' respectively 26°49'

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