The microwave spectrum and structure of cyclopropyl carbinol. II. Four deuterated forms

1978 ◽  
Vol 56 (4) ◽  
pp. 530-532 ◽  
Author(s):  
W. V. F. Brooks ◽  
C. K. Sastri
Keyword(s):  
Dipole Moments ◽  
Microwave Spectrum ◽  
Rotational Constants ◽  
Microwave Spectra

The microwave spectra of four deuterated species of cyclopropyl carbinol have been studied. The rotational constants A, B, and C (in MHz) are: C3H5CHaDbOH, 11 742.86, 3205.17, 2830.41; C3H5CDaHbOH, 11 853.44, 3188.10, 2878.28; C3H5CHaDbOD, 11 321.30, 3145.87, 2762.23; C3H5CDaHbOD, 11 433.85, 3129.30, 2809.81. The measured dipole moments of C3H5CHaDbOH and C3H5CHaDbOD are, respectively, 1.91 and 1.873 D. This confirms the essential details of the conformation proposed in an earlier paper.

The microwave spectrum, dipole moment, and structure of cyclopropyl carbinol

1970 ◽  
Vol 48 (19) ◽  
pp. 2949-2954 ◽  
Author(s):  
A. Bhaumik ◽  
W. V. F. Brooks ◽  
S. C. Dass ◽  
K. V. L. N. Sastry
Keyword(s):  
Hydrogen Bonding ◽  
Dipole Moment ◽  
Dipole Moments ◽  
Microwave Spectrum ◽  
Rotational Constants ◽  
Rotational Isomers ◽  
Microwave Spectra ◽  
Strained Bonds ◽  
Hydroxyl Hydrogen

The microwave spectra of cyclopropyl carbinol [Formula: see text] and its deuterated (—OD) form were studied in the region of 8 to 35 gHz. Only one of the possible rotational isomers was identified. The measured rotational constants and dipole moments for C3H5CH2OH and C3H5CH2OD are, respectively, A (mHz): 12485.13, 12064.04; B (mHz): 3236.46, 3177.22; C (mHz): 2894.38, 2826.19; κ: −0.928665, −0.924001; μa (D): 1.81, 1.78; μb (D): 0.36, 0.32; μc (D): 0.31, 0.30; μtotal(D): 1.87, 1.84.Rotation is apparently hindered by hydrogen bonding between the hydroxyl hydrogen and the electrons in the strained bonds of the cyclopropyl ring.

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 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'

Microwave Spectrum, Structure, and Dipole Moment of Cyanogen Azide, NCN3

1972 ◽  
Vol 50 (13) ◽  
pp. 1453-1457 ◽  
Author(s):  
C. C. Costain ◽  
H. W. Kroto
Keyword(s):  
Dipole Moment ◽  
Stark Effect ◽  
Structural Parameters ◽  
Microwave Spectrum ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Isotopic Species ◽  
Planar Molecule ◽  
Spectrum Structure

The microwave spectra of cyanogen azide, NCN3, and two isotopic species have been investigated between 11 and 37 GHz. From the observed rotational constants, the following structural parameters have been obtained:[Formula: see text]The observed data are consistent with a planar molecule. The values of the rotational constants of the normal species are:[Formula: see text]The inertial defect for the normal species is 0.347 uÅ2.The dipole moment components have been determined from the Stark effect of several μa lines as μa = 2.93 ± 0.06 D and μb = 0.44 ± 0.015 D. The relatively low value of μb was responsible for the difficulty encountered in observing and assigning μb type transitions.

Mikrowellenspektrum, rotationsspektroskopische Konstanten und r0-Struktur des CSFCl / Microwave Spectrum, Spectroscopic Constants and r0 Structure of CSFCl

1975 ◽  
Vol 30 (2) ◽  
pp. 183-194 ◽  
Author(s):  
Hans Joachim Kohrmann ◽  
Werner Zeil
Keyword(s):  
Microwave Spectrum ◽  
Spectroscopic Constants ◽  
Structure Parameters ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Isotopic Species ◽  
Centrifugal Distortion Constants

Abstract The microwave spectra of following isotopic species 12. 12C32S19F35Cl, 12C32S19F37Cl, 12C34S19F35Cl, 13C32S19F35Cl have been measured. The rotational constants and the centrifugal distortion constants have been determined and a r0 structure calculated. The structure parameters are: rCS 1.595° Å, rCF 1.326° Å, rCCl 1.715° Å, ∢ SCF 123.82°, SCCl 127.12°.

The Microwave Spectrum of Trifluoromethyl Hypofluorite

1974 ◽  
Vol 52 (6) ◽  
pp. 942-945 ◽  
Author(s):  
P. Buckley ◽  
J. P. Weber
Keyword(s):  
Electron Diffraction ◽  
Potential Barrier ◽  
Relative Intensity ◽  
Stark Effect ◽  
Dipole Moments ◽  
Double Resonance ◽  
Microwave Spectrum ◽  
Rotational Constants ◽  
Intensity Measurements

The microwave spectrum of trifluoromethyl hypofluorite (CF3OF) has been analyzed in the region 8–40 GHz. Only μa R-type transitions were observed despite a careful search and using double-resonance techniques. These determine the following rotational constants: A = 5600 ± 100, B = 3108.13 ± 0.02, C = 3049.25 ± 0.02 MHz. The dipole moments determined from Stark effect measurements are μa = 0.30 ± 0.02, μb = 0.10 ± 0.06, μc = 0 D. The υ = 1 state of the CF3 torsion has also been measured; relative intensity measurements lead to a potential barrier of 3.9 kcal/mol, somewhat higher than the electron diffraction results.

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