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.

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, interne Rotation, Struktur und Dipolmoment von Methylchloroform

1968 ◽  
Vol 23 (2) ◽  
pp. 307-311
Author(s):  
R. Holm ◽  
M. Mitzlaff ◽  
H. Hartmann
Keyword(s):  
Dipole Moment ◽  
Stark Effect ◽  
Equilibrium Configuration ◽  
Structural Parameters ◽  
Microwave Spectrum ◽  
Methyl Group ◽  
Intensity Measurements ◽  
Isotopic Species ◽  
Asymmetric Top ◽  
Torsional Isomers

The microwave spectrum of several symmetric and asymmetric top isotopic species of CH3CCl3 has been studied in the region from 8 to 40 GHz. A least squares analysis of the rotational con-stants gave the following structural parameters :dC-C =(1.541 ±0.001) A, dC-Cl = (1,7712 ± 0.0008) A, dC-H = (1.090 ± 0.002) A, ∢H—C—H= (110.04±0.25) ° , ∢Cl—C—Cl= (109.39 ±0.25) ° .A dipole moment of μ = (1.755 ± 0.015) D has been derived from the investigation of the Stark effect of the transition J=4→5 of CH3CCl3335. From intensity measurements the barrier to internal rotation is estimated to be (1740 ± 300) cal/mol. An analysis of the spectrum of CH2DCCl2Cl37 shows conclusively that methylchloroform in its equilibrium configuration has the methyl group staggered with respect to the CCl3-group. It could be shown that there exist two torsional isomers gauche and anti with specific microwave spectra.

Microwave Spectrum and Dipole Moment of Methylenecyclobutenone

1974 ◽  
Vol 29 (10) ◽  
pp. 1498-1500 ◽  
Author(s):  
W. Czieslik ◽  
L. Carpentier ◽  
D. H. Sutter
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Ground State ◽  
Stark Effect ◽  
Microwave Spectrum ◽  
Least Square ◽  
Rotational Constants ◽  
Vibrational Ground State ◽  
Least Square Fit

Abstract The microwave spectrum of Methylenecyclobutenone has been investigated in the vibrational ground state in the range of 8 to 26.5 GHz. From a least square fit of 12 lines with J ≦ 4 the rotational constants have been calculated as A =5.775664±0.000009 GHz, B = 4.312314 ± 0.000007 GHz, C = 2.467814±0.000008 GHz. The inertia defect Δ = - 0.09 amuÅ2 indicates that the molecule is planar. From Stark-effect measurements the components of the molecular electric dipole moment were obtaied as |μa| = 2.04 ± 0.02 D, |μb| = 2.70±0.03 D, |μtotal| = 3.39 ± 0.05 D.

The Microwave Spectrum and Dipole Moment of Hexafluoropropanone

1991 ◽  
Vol 46 (3) ◽  
pp. 229-232 ◽  
Author(s):  
J.-U. Grabow ◽  
N. Heineking ◽  
W. Stahl
Keyword(s):  
Fourier Transform ◽  
Dipole Moment ◽  
Molecular Beam ◽  
Stark Effect ◽  
Microwave Spectrum ◽  
Fourier Transform Spectrometer ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Centrifugal Distortion Constants

AbstractWe recorded the microwave spectrum of hexafluoropropanone between 7 and 15 GHz using a pulsed molecular beam microwave Fourier transform spectrometer. The rotational constants were determined to be A = 2181.71980(14) MHz, B= 1037.22930(7) MHz, C = 934.89233(8) MHz, the quartic centrifugal distortion constants are D'J= 0.07378 (39) kHz, D'JK = 0.10002(75) kHz, D'K = -0.07269(266) kHz, δ'J = 0.00623(29) kHz and R' 6= 0.00755(12) kHz. Stark effect measurements yielded a dipole moment μ = μb= 0.3949 (18) D

Mikrowellenspektrum von 12C34SF37Cl

1976 ◽  
Vol 31 (6) ◽  
pp. 594-601 ◽  
Author(s):  
R. Hamm ◽  
H. J. Kohrmann ◽  
H. Günther ◽  
W. Zeil
Keyword(s):  
Equilibrium Structure ◽  
Microwave Spectrum ◽  
Natural Abundance ◽  
Least Square ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Isotopic Species ◽  
Planar Molecule ◽  
Least Square Fit ◽  
Centrifugal Distortion Constants

The microwave spectrum of the isotopic species 12C34SF37Cl has been measured in natural abundance. The three rotational constants and five quartic centrifugal distortion constants have been determined by a least square fit. In comparison with our former calculations, the five structural r0-parameters of the planar molecule have now been determined from eight rotational constants instead of six, thus yielding remarkably smaller confidence intervalls. Furthermore an re-structure has been calculated and an equilibrium-structure has been estimated

The microwave spectrum of propynethial, HC≡C-CHS

1982 ◽  
Vol 35 (9) ◽  
pp. 1747 ◽  
Author(s):  
RD Brown ◽  
PD Godfrey ◽  
R Champion ◽  
M Woodruff
Keyword(s):  
Dipole Moment ◽  
Pyrolysis Product ◽  
Microwave Spectrum ◽  
Rotational Constants ◽  
Flash Pyrolysis ◽  
Resonance Structures ◽  
Alternative Structures ◽  
Isotopic Species

We have demonstrated that the flash pyrolysis of dipropargyl sulfide yields propynethial, HC≡CCHS, among the products. The microwave spectrum of the major isotopic species of propynethial and of HCCCH34S have been analysed. The derived rotational constants for these species enable us to eliminate any alternative structures for the pyrolysis product. The measured dipole moment components [μa = 1.763(1) D; μb = 0.661(1); μtotal = 1.883(1)] are discussed in terms of simple resonance structures.

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 allyl cyanide (CH2=CHCH2CN)

1968 ◽  
Vol 46 (8) ◽  
pp. 959-962 ◽  
Author(s):  
K. V. L. N. Sastry ◽  
V. M. Rao ◽  
S. C. Dass
Keyword(s):  
Dipole Moment ◽  
Vibrational State ◽  
Stark Effect ◽  
Microwave Spectrum ◽  
Effect Measurement ◽  
Rotational Constants ◽  
Molecular Dipole ◽  
Ground Vibrational State ◽  
Molecular Dipole Moment ◽  
Rotational Isomers

The microwave spectrum of allyl cyanide (3-butenonitrile) was studied in the region from 8 to 26 GHz. It was confirmed that this molecule exists in the two rotational isomers "cis" and "gauche". In the cis form, both a- and b-type transitions were assigned and the rotational constants in the ground vibrational state were calculated to be A = 11 323.01 + 0.08 MHz, B = 3739.20 ± 0.01 MHz, C = 2858.52 ± 0.01 MHz. The molecular dipole-moment components are μa = 3.26 ± 0.01 D, μb = 2.16 ± 0.05 D, and μt = 3.91 ± 0.03 D. For the gauche form, the a-type transitions were assigned and the rotational constants in the ground vibrational state are A = 17 295 MHz, B = 2619.91 ± 0.1 MHz, C = 2497.52 ± 0.1 MHz. The Stark effect measurement in this case gave the components of the dipole moment as μa = 3.69 ± 0.02 D, ub = 1.11 ± 0.06 D, μc = 0.98 ± 0.07 D, and μt = 3.98 ± 0.03 D.

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.

Sign in / Sign up

Export Citation Format

Share Document