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 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 1,3-Dioxane

1972 ◽  
Vol 50 (11) ◽  
pp. 1690-1697 ◽  
Author(s):  
R. Kewley
Keyword(s):  
Dipole Moment ◽  
Vibrational State ◽  
Microwave Spectrum ◽  
Vibrational States ◽  
Rotational Constants ◽  
Ground Vibrational State ◽  
Chair Form ◽  
Rotational Spectra

The microwave spectrum of 1,3-dioxane has been studied within the region 8 to 40 GHz. The rotational constants of the molecule in its ground vibrational state are, in MHz, A = 4999.94(0.05), B = 4807.61 (0.05), and C = 2757.12(0.05). The dipole moment components are, in Debye units, μb = 1.61 (0.02), μc = 1.29(0.01), and μ = 2.06(0.03). The values of the above quantities are consistent with a chair form structure. Rotational spectra due to five excited vibrational states of 1,3-dioxane have been assigned.

The Rotational Spectrum and Nuclear Quadrupole Coupling of CH35C1F2

1996 ◽  
Vol 51 (1-2) ◽  
pp. 129-132 ◽  
Author(s):  
Susana Blanco ◽  
Alberto Lesarri ◽  
Juan C. López ◽  
José L. Alonso ◽  
Antonio Guarnieri
Keyword(s):  
Fourier Transform ◽  
Vibrational State ◽  
Frequency Region ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Frequency Range ◽  
Vibrational States ◽  
Ground Vibrational State ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract The rotational spectrum of CH35CIF2 in the ground vibrational state has been measured in the frequency range 8-18 GHz using a waveguide Fourier transform microwave (FTMW) spectrometer in order to determine accurate nuclear quadrupole coupling constants. The spectra of the excited vibrational states ν5 = 1, ν6 = 1 and ν9 = 1 have been also observed and analyzed in the frequency region 8-250 GHz using FTMW, Stark, and source modulation spectrometers. Quadrupole coupling constants are also reported for these states.

scholarly journals Methyl Internal Rotation and 14N Nuclear Quadrupole Coupling from the Rotational Spectra of Ethyl Isocyanide, iso-Propyl Isocyanide and gauche- and trans-n-Propyl Isocyanide

1992 ◽  
Vol 47 (10) ◽  
pp. 1067-1072 ◽  
Author(s):  
Michael Krüger ◽  
Helmut Dreizler
Keyword(s):  
Fourier Transform ◽  
Internal Rotation ◽  
Vibrational State ◽  
Fourier Transform Spectroscopy ◽  
Coupling Constants ◽  
Ground Vibrational State ◽  
Rotational Spectra ◽  
Barrier Heights ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

AbstractThe barrier heights (V3) hindering methyl internal rotation were determined with microwave Fourier transform spectroscopy from the ground vibrational state for the title molecules and found to be V3 = 3.336(52) kcal/mol for ethyl isocyanide, V3 > 3.1 kcal/mol for iso-propyl isocyanide, V3 = 2.894(23) kcal/mol for gauche-n-propyl isocyanide and V3 = 2.954(22) kcal/mol for transn- propyl isocyanide. The quadrupole coupling constants of iso-propyl isocyanide are χaa = 179.3(31) kHz, χbb = -140(15) kHz and χcc - 39(15) kHz; the constants of trans-n-propyl isocyanide were determined to be χaa = 268.1 (71) kHz, χbb = - 108(23) kHz and χcc = - 160(23) kHz.

The Hyperfine Structure in the Rotational Spectrum of CuCl

1977 ◽  
Vol 32 (12) ◽  
pp. 1477-1479
Author(s):  
E. Tiemann ◽  
J. Hoeft
Keyword(s):  
Hyperfine Structure ◽  
Vibrational State ◽  
Rotational Transition ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Ground Vibrational State ◽  
Quadrupole Coupling ◽  
Magnetic Spin ◽  
Nuclear Quadrupole ◽  
Rotational Coupling

Abstract The hyperfine structure of the rotational transition J = 1 ← 0 of 63Cu35Cl in the ground vibrational state was observed. The analysis resulted in the following nuclear quadrupole coupling constants: 63Cu: e q0 Q= +16.08(20) MHz; 35Cl: eq0 Q = - 32.25(15) MHz. The influence of the small magnetic spin rotational coupling of both nuclei on the hyperfine spectrum is discussed.

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