Rotational Spectrum , Electric Dipole Moment, Quadrupole Coupling , and Partial r0- Structure of 3 -Cyanothiophene

1977 ◽  
Vol 32 (8) ◽  
pp. 890-896 ◽  
Author(s):  
J. Wiese ◽  
D. H. Sutter
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Stark Effect ◽  
Quadrupole Coupling Constant ◽  
Abundant Species ◽  
Rotational Spectrum ◽  
Quadrupole Coupling ◽  
Centrifugal Distortion Constants ◽  
Ring Distortion

Abstract The microwave rotational spectrum of the most abundant species of 3-Cyanothiophene was investigated for the ground vibrational state. Rotational constants and centrifugal distortion constants are given. The electric dipole moment components μa and μb and the 14N-quadrupole coupling constant X + = X bb + X cc were determined from the Stark-effect splittings and hfs-splittings respectively. The experimental results are compared to CNDO/2 calculations and are discussed with reference to ring distortion.

The Microwave Spectrum of 15N-Difluoroacetonitrile: Electric Dipole Moment and Partial r0-Structure

1991 ◽  
Vol 46 (6) ◽  
pp. 535-539 ◽  
Author(s):  
Bettina Ohle ◽  
Heinrich Mäder ◽  
Antonio Guarnieri
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Stark Effect ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Frequency Range ◽  
Rotational Constants ◽  
Principal Axes ◽  
Centrifugal Distortion Constants

AbstractThe rotational spectrum of 15N-difluoroacetonitrile has been investigated in the frequency range from 8 to 18 GHz. From the measured lines with J up to 20, rotational constants and quartic centrifugal distortion constants have been determined. For some lines the Stark effect has been examined, yielding the components of the electric dipole moment along the a- and c-principal axes of inertia. The obtained rotational constants were also used together with the rotational constants of the normal isotopomer to derive a partial restructure of the molecule

Microwave Spectrum, Dipole Moment and Quadrupole Coupling Constants of Orthofluoropyridine

1971 ◽  
Vol 26 (8) ◽  
pp. 1342-1345 ◽  
Author(s):  
S. D. Sharma ◽  
S. Doraiswamy ◽  
H. Legell ◽  
H. Mäder ◽  
D. Sutter
Keyword(s):  
Dipole Moment ◽  
Stark Effect ◽  
Molecular Orbital Calculation ◽  
Quadrupole Coupling Constant ◽  
Coupling Constants ◽  
Rotational Line ◽  
Rotational Spectrum ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Hyperfine Splittings

The rotational spectrum of 2-fluoropyridine has been analyzed in the region between 7 - 40 GHz. The rotational constants for the vibrational ground state are: A = 5870.90 MHz, 5 = 2699.96 MHz, C = 1849.26 MHz. The small inertia defect indicates that the nuclear frame is planar. The two components of the electric dipole moment were obtained from Stark effect measurements: μa = 2.80 ± 0.06 D, μb = 1.87 ± 0.05 D. These values agree well with an INDO closed molecular orbital calculation done at T.I.F.R. From the hyperfine splittings of the rotational line the 14N nuclear quadrupole coupling constant are determined. The values are : Χaa=-0.02±0.05 MHz, Xbb = -2.80±0.05 MHz, Xcc = +2.82±0.05 MHz

scholarly journals Dipole Moment and High Resolution Rotational Spectrum of Fluorocyanoacetylene, FCCCN

1992 ◽  
Vol 47 (12) ◽  
pp. 1241-1242
Author(s):  
Michael Krüger ◽  
Ilona Merke ◽  
Helmut Dreizler
Keyword(s):  
Dipole Moment ◽  
High Resolution ◽  
Stark Effect ◽  
Quadrupole Coupling Constant ◽  
Rotational Spectrum ◽  
Rotational Spectra ◽  
Dc Discharge ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Pulsed Nozzle

The title molecule was produced in a dc discharge from pentafluoro benzonitrile, C6F5CN. The dipole moment of fluorocyanoacetylene was found to be 3.05(15) D from the Stark effect. The 14N nuclear quadrupole coupling constant ϰzz = - 4.2513 (47) MHz was determined from high resolution rotational spectra obtained with a pulsed nozzle molecular-beam microwave Fourier transform spectrometer.

Spectroscopic investigations of hydrogen bonding interactions in the gas phase. I. The determination of the geometry, dissociation energy, potential constants and electric dipole moment of the hydrogen-bonded heterodimer HCN • • • HF from its microwave rotational spectrum

1980 ◽  
Vol 370 (1741) ◽  
pp. 213-237 ◽  
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Stark Effect ◽  
Potential Energy Function ◽  
Spectroscopic Constants ◽  
Rotational Spectrum ◽  
Energy Potential ◽  
Microwave Rotational Spectrum ◽  
Hydrogen Bonded

The microwave rotational spectrum of the hydrogen-bonded, linear heterodimer HCN • • • HF has been identified and a number of spectroscopic constants have been measured in a detailed analysis. The spectroscopic constants have been used in a variety of ways in order to evaluate parameters characterizing the potential energy function of the isolated dimer. An investigation of the Stark effect of two rotational transitions of HCN • • • HF has led to an accurate value of the electric dipole moment of the dimer and hence to the enhancement on dimer formation.

Improved Rotational Constants and Dipole Moment and a Nuclear Quadrupole Coupling Analysis of 2-Cyanothiophene and Dipole Moment of 2-Cyanofurane

1977 ◽  
Vol 32 (2) ◽  
pp. 152-155 ◽  
Author(s):  
J. Wiese ◽  
L. Engelbrecht ◽  
H. Dreizler
Keyword(s):  
Dipole Moment ◽  
Stark Effect ◽  
Dipole Moments ◽  
Quadrupole Coupling Constant ◽  
Rotational Constant ◽  
Coupling Constant ◽  
Frequency Range ◽  
Effect Analysis ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Results of a microwave investigation of the molecules 2-Cyanothiophene and 2-Cyanofurane are reported. The microwave spectrum of 2-Cyanothiophene was examined in the frequency range of 13 -40 GHz mainly to get a more accurate rotational constant A from the assignment of μb-btransitions. From the resolved hyperfine structure due to nuclear quadrupole coupling of the 14N-nucleus the quadrupole coupling constant X+=Xbb + Xcc was determined for 2-Cyanothiophene. No information for X- was available from the measured transitions.From Stark effect studies the dipole moments were determined for both molecules. The nuclear quadrupole coupling as a perturbation of the second order Stark effect was included in the Stark effect analysis

The Microwave Spectrum of Silylisothiocyanate, SiH3NCS

1977 ◽  
Vol 32 (5) ◽  
pp. 473-481 ◽  
Author(s):  
K.-F. Dössel ◽  
D. H. Sutter
Keyword(s):  
Dipole Moment ◽  
Stark Effect ◽  
Heavy Atom ◽  
Quadrupole Coupling Constant ◽  
Rotational Transition ◽  
Coupling Constant ◽  
Bending Vibration ◽  
Isotopic Species ◽  
Quadrupole Coupling ◽  
Atom Chain

Abstract The microwave spectra of 15N-and 13C-substituted SiH3NCS were recorded in the frequency region between 8 and 40 GHz. Combining the resulting rotational constants with values obtained previously for other isotopic species, the complete restructure of the heavy atom chain could be determined. This leads to the following rs-bond distances: rC-S = l-5745 Å, rN-C = 1.2208 Å, and rSi-N = 1.6725 Å. From Stark effect splittings the electric dipole moment of the most abun­dant species was determined for the ground vibrational state and for the first excited state of the lowest frequency bending vibration ν10 . The values are <ν10=0 | μz | ν10=0> = 2.38 + 0.02 D and <ν10=1, l=1| μz | ν10=1, l=1>=2.36 ±0.02D. The direction of the dipole moment is discussed. From the quadrupole hyperfinestructure of the J = 2→J′=3 rotational transition the 14N-quadrupole coupling constant could be determined as Xzz=0.75 MHz. The experimental results are compared to CNDO/2 calculations.

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.

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