Microwave spectrum of morpholine

1969 ◽  
Vol 47 (18) ◽  
pp. 3453-3462 ◽  
Author(s):  
J. J. Sloan ◽  
R. Kewley
Keyword(s):  
Dipole Moment ◽  
Vibrational State ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Chair Conformer ◽  
Imino Group ◽  
Ground Vibrational State ◽  
Principal Axes ◽  
Quadrupole Coupling ◽  
Equatorial Conformer

The microwave spectra of morpholine and N-deuteromorpholine have been investigated within the 8 to 40 GHz region. For both the normal and the deuterated species, strong a-type spectra which are due to the chair conformer with an equatorial imino group were recorded. The ground vibrational state rotational constants and quadrupole coupling constants are (in MHz), for normal morpholine, A = 4924.88 ± 0.05, B = 4625.15 ± 0.05, C = 2684.25 ± 0.05, χaa = 2.22 ± 0.02, χbb = 2.51 ± 0.04, χcc = −4.73 ± 0.02, and for N-deuteromorpholine, A = 4925.39 ± 0.05, B = 4399.67 ± 0.05, C = 2607.09 ± 0.05, χaa = 1.92 ± 0.02, χbb = 2.59 ± 0.04, χcc = −4.51 ± 0.02. The rs coordinates of the imino hydrogen are (in Å) aH = 2.373 ± 0.005 and cH = 0.10 ± 0.03. For the normal species the dipole moment components are (in D) μa = 1.68 ± 0.01, μc = 0.30 ± 0.01, μ = 1.71 ± 0.02. The value of aH and the direction of μ with respect to the a and c principal axes confirm that the observed spectrum is that of the chair equatorial conformer of morpholine.

Microwave Spectrum of N-Methyl Morpholine

1974 ◽  
Vol 52 (3) ◽  
pp. 434-439 ◽  
Author(s):  
S. C. Dass ◽  
R. Kewley
Keyword(s):  
Dipole Moment ◽  
Vibrational State ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Vibrational States ◽  
Methyl Group ◽  
Ground Vibrational State ◽  
Chair Form ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

The microwave spectrum of N-methyl morpholine has been investigated within the 8 to 40 GHz region. The observed rotational constants for the ground vibrational state are (in MHz), A = 4821.235(0.077), B = 2342.579(0.004), and C = 1719.452(0.003). The dipole moment components have been determined as (in D), μa = 1.21(0.02), μc = 0.10(0.03), and μ= 1.21(0.02). The values of these parameters show that the observed spectrum is due to the chair form with an equatorial methyl group. The 14N nuclear quadrupole coupling constants have the values (in MHz), χaa = 2.4(0.1), χbb =.6(0.3) and χcc = −5.0(0.2). Sets of rotational transitions due to six excited vibrational states have also been assigned.

Microwave Spectrum, Nuclear Quadrupole Coupling Constants, Dipole Moment, and Structure of Chlorine Pentafluoride, ClF5

1976 ◽  
Vol 31 (12) ◽  
pp. 1638-1643 ◽  
Author(s):  
H. K. Bodenseh ◽  
W. Hüttner ◽  
P. Nowicki
Keyword(s):  
Dipole Moment ◽  
Vibrational State ◽  
Bond Angle ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Frequency Data ◽  
Ground Vibrational State ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Rotational Transitions

AbstractSeveral rotational transitions in the ground vibrational state of 35ClF5 and 37ClF5 have been measured. From the frequency data the following constants have been derived: B0(35ClF5) = 3550.272(4) MHz; B0(37ClF5) = 3545.885 (4) MHz; DJ = 0.76(9) kHz; DJK = -0.67 (15) kHz; e Q q(35ClF5) = 43.93(8) MHz; e Q q(37ClF5) = 34.63(6) MHz; μ = 0.536(10) D. The bond angle Fax-Cl-Feq is estimated at 86.5(1.0)°.

Microwave spectrum and conformation of tetrahydropyran

1969 ◽  
Vol 47 (8) ◽  
pp. 1289-1293 ◽  
Author(s):  
V. M. Rao ◽  
R. Kewley
Keyword(s):  
Dipole Moment ◽  
Vibrational State ◽  
Microwave Spectrum ◽  
Rotational Constants ◽  
Ground Vibrational State ◽  
Chair Form ◽  
Principal Axes

The microwave spectrum of tetrahydropyran has been recorded in the region 8–40 GHz. The rotational constants of the molecule in its ground vibrational state are, in MHz, A = 4673.48 ± 0.05, B = 4495.02 ± 0.11, and C = 2601.31 ± 0.05. The dipole moment components are, in Debye units, μa = 1.53 ± 0.02, μc = 0.82 ± 0.02, and μ = 1.74 ± 0.03. The direction of μ with respect to the principal axes of rotation together with the rotational constants show that the observed spectrum is due to the chair form of tetrahydropyran.

scholarly journals Microwave Spectrum of Ethyl Cyanide; r0-Structure, Nitrogen Quadrupole Coupling Constants and Rotation-Torsion-Vibration Interaction

1974 ◽  
Vol 29 (1) ◽  
pp. 164-183 ◽  
Author(s):  
H. Mäder ◽  
H. M. Heise ◽  
H. Dreizler
Keyword(s):  
Vibrational State ◽  
Degrees Of Freedom ◽  
Molecular Model ◽  
Diagonal Element ◽  
Coupling Constants ◽  
Rotational Line ◽  
Bending Vibration ◽  
Ground Vibrational State ◽  
Principal Axes ◽  
Quadrupole Coupling

An investigation of the microwave spectra of ethyl cyanide CH3CH2CN and the isotopes CH2DCH2CN, CH3CD2CN was carried out. The ground vibrational state of CH3CH2CN was reexamined under high resolution to give three centrifugal distortion constants DJ , DJK and DK. From the rotational constants of the ground vibrational state of CH3CH2CN, CH3CD2CN, CH2DCH2CN (symmetric) and CH2DCH2CN (asymmetric), CH3CH213CN and CD3CHDCN a r0-structure is derived. For the isotopes CH3CD2CN, CH2DCH2CN (symmetric) and CH2DCH2CN (asymmetric) the diagonal elements Χaa , Χbb and Χcc of the quadrupole tensor with respect to the principal axes of inertia were deduced from the hyperfine structure of the rotational lines. The off-diagonal element Χab for CH3CD2CN and CH2DCH2CN (symmetric) and the principal elements Χzz , Χxx of the quadrupole coupling tensor were obtained from Χaa, Χbb of the two molecules and from the principal axis rotation angle about the c-axis produced by isotopic substitution. For the analysis of the rotational spectra in the first excited states of methyl torsion and the lowest frequency in plane bending vibration of normal ethyl cyanide a molecular model with two internal degrees of freedom is considered. From the rotational line splittings in both states the coefficients V3 and V6 of the Fourier expansion of the potential hindering the internal rotation of the methyl group are determined.

Microwave spectrum, dipole moment and quadrupole coupling constants of 1,2,5-selenadiazole

1967 ◽  
Vol 1 (9) ◽  
pp. 379-381 ◽  
Author(s):  
G.L. Blackman ◽  
R.D. Brown ◽  
F.R. Burden ◽  
J.E. Kent
Keyword(s):  
Dipole Moment ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Quadrupole Coupling

Microwave spectrum, structure, dipole moment, and quadrupole coupling constants of isopropylamine

1977 ◽  
Vol 64 (2) ◽  
pp. 244-251 ◽  
Author(s):  
Suresh C. Mehrotra ◽  
Lawrence L. Griffin ◽  
Chester O. Britt ◽  
James E. Boggs
Keyword(s):  
Dipole Moment ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Quadrupole Coupling ◽  
Spectrum Structure
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