The rotational spectrum and geometry of the heterodimer oxirane ⋅ ⋅ ⋅ hydrogen cyanide in the vibrational ground state and thevβ(0)=1 state

1986 ◽  
Vol 85 (2) ◽  
pp. 676-682 ◽  
Author(s):  
Elizabeth J. Goodwin ◽  
A. C. Legon ◽  
D. J. Millen
Keyword(s):  
Ground State ◽  
Hydrogen Cyanide ◽  
Rotational Spectrum ◽  
Vibrational Ground State

scholarly journals Methyl Internal Rotation Fine Structure in the Ground State Rotational Spectrum of Gauche Butane

1990 ◽  
Vol 45 (8) ◽  
pp. 989-994 ◽  
Author(s):  
Kirsten Vormann ◽  
Helmut Dreizler ◽  
Hans Hübner ◽  
Wolfgang Hüttner
Keyword(s):  
Fine Structure ◽  
Internal Rotation ◽  
Barrier Height ◽  
Ground State ◽  
High Accuracy ◽  
Rotational Spectrum ◽  
Frequency Range ◽  
Vibrational Ground State ◽  
Rotation Parameters

Abstract The methyl torsional fine structure in the rotational spectrum of gauche butane in the vibrational ground state was investigated in the frequency range between 10 and 141 GHz. Using the internal axis method (IAM) in the formulation of Woods, all internal rotation parameters were determined with high accuracy. The barrier height of the methyl internal rotation was determined to 11.34 (29) kJ/mol (2.710 (69) kcal/mol)

Determination of a High Potential Barrier Hindering Internal Rotation from the Ground State Spectrum. The Methylbarrier of Ethylbromide

1985 ◽  
Vol 40 (6) ◽  
pp. 575-587 ◽  
Author(s):  
J. Gripp ◽  
H. Dreizler ◽  
R. Schwarz
Keyword(s):  
Hyperfine Structure ◽  
Internal Rotation ◽  
Potential Barrier ◽  
Ground State ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Vibrational Ground State ◽  
Distortion Analysis ◽  
High Potential Barrier

For ethylbromide a determination of the parameters of internal rotation is given derived from the rotational spectrum of the torsional and vibrational ground state. The Br-hyperfine structure is reanalysed with higher precision. As high J transitions were measured a centrifugal distortion analysis was necessary.

Spectroscopic investigations of hydrogen bonding interactions in the gas phase. IX. Vibrational satellites in the rotational spectrum of the hydrogen-bonded homodimer HCN • • • HCN

1985 ◽  
Vol 399 (1817) ◽  
pp. 377-390 ◽  
Keyword(s):  
Gas Phase ◽  
Ground State ◽  
Hydrogen Cyanide ◽  
Spectroscopic Constants ◽  
Rotational Spectrum ◽  
Optimum Conditions ◽  
Frequency Range ◽  
Hydrogen Bonding Interactions ◽  
Microwave Spectrometer ◽  
Simulation Of Spectra

The rotational spectrum of the hydrogen cyanide dimer has been observed in the frequency range 26-40 GHz by using a Stark-modulated microwave spectrometer. Although the spectrum is very weak, even under optimum conditions, it has been possible to assign vibrational satellites in the v β progression based on the ground state and in the v β progression based on v σ ═ 1 with the aid of the computer simulation of spectra and the ground-state spectroscopic constants. The spectroscopic constants now available for the hydrogen cyanide dimerare summarized as follows: (HC 14 N) 2 (DC 14 N) 2 (HC 15 N) 2 v β ═ 1 ← 0/cm -1 35±5 30±5 35±5 v σ ═ 1 ← 0/cm -1 101 ─ ─ B o /MHz 1745.80973(50) 1661.18(26) 1684.28825(25) D J /kHz 2.133(30) (1.873) 1.900(30) r c. m ./nm 44.496 ─ 44.499 K σ /(Nm -1 ) 8.14 ─ 8.51 α β /MHz ─20.07 (2) ─17.73 (27) ─18.74 (9) γ β /MHz 0.266 (4) 0.242 (36) 0.250 (17) q β /MHz 5.33 (4) 5.44 (13) 5.15 (10) α σ /MHz (31.44) ─ ─

Rotational Spectrum of cis-HS3D

1992 ◽  
Vol 47 (10) ◽  
pp. 1091-1093 ◽  
Author(s):  
M. Liedtke ◽  
A. H. Saleck ◽  
J. Behrend ◽  
G. Winnewisser ◽  
R. Klünsch ◽  
...  
Keyword(s):  
Ground State ◽  
Rotational Spectrum ◽  
Frequency Range ◽  
Rotational Constants ◽  
Vibrational Ground State ◽  
Q 30

AbstractThe rotational spectrum of HS3D in the vibrational ground state has been measured in the frequency range between 75 and 293 GHz. Up to now, about 180 Q-, 30 P-, and 70 R-branch c-type transitions have been identified. The preliminary rotational constants of the species observed support the cis-conformation established earlier from the H2S3 rotational spectrum.

Nitrogen Quadrupole Coupling in the Rotational Spectrum of l-Isocyanoprop-2-yne, HC ≡ CCH2NC

1990 ◽  
Vol 45 (8) ◽  
pp. 986-988 ◽  
Author(s):  
M. Krüger ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Ground State ◽  
Fourier Transform Spectroscopy ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Vibrational Ground State ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Hyperfine Splittings

AbstractThe rotational spectrum of l-isocyanoprop-2-yne, HC≡CCH2NC, has been measured in the vibrational ground state by microwave Fourier transform spectroscopy from 5 to 26.5 GHz. The nuclear quadrupole hyperfine splittings due to 14N have been analysed to obtain the coupling constants χaa = 290.3(78) kHz, χbb = 10.6(80) kHz and χcc= -300.9(80) kHz

The microwave spectrum and molecular structure of trimethylene sulphoxide; bends, tilts and twists in the methylene groups

1977 ◽  
Vol 354 (1679) ◽  
pp. 491-509 ◽  
Keyword(s):  
Excited States ◽  
Ground State ◽  
Rotational Spectrum ◽  
Vibrationally Excited ◽  
Rotational Constants ◽  
Vibrational Ground State ◽  
Isotopic Species ◽  
Microwave Rotational Spectrum ◽  
Methylene Groups ◽  
The Common

The microwave rotational spectrum of the common isotopic species ( 12 CH 2 ) 32 3 S 16 O of trimethylene sulphoxide has been assigned and rotational constants obtained for the vibrational ground state, the first four excited states of the ring puckering mode and two other low-lying vibrationally excited states. In addition rotational constants have been derived for the vibrational ground state of each of the eight different singly substituted isotopic species [ 34 S], [ 13 C 2 ], [13 C 3 ], [ 2 H 2 ], [ 2 H 2 .], [ 2 H 3 ], [ 2 H 3 .] and [ 18 O], with the first three in natural abundance, and are as follows:

Investigation of the Microwave Spectrum of Cyclopropyl Isocyanate. An Example for the Failure of Centrifugal Distortion Theory

1990 ◽  
Vol 45 (9-10) ◽  
pp. 1175-1184 ◽  
Author(s):  
C. Heldmann ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Hyperfine Structure ◽  
Ground State ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Vibrational Ground State ◽  
Quadrupole Coupling

Abstract The vibrational ground state microwave spectrum of cyclopropyl isocyanate was investigated in the region from 8.4 to 40 GHz by microwave Fourier transform (MWFT) spectroscopy. The quadru-pole hyperfine structure was resolved and assigned. The quadrupole coupling constants are given. With respect to the data given in the literature up to now, this work led to a more profound description of the pure rotational spectrum. Furthermore, some interesting and surprising results concerning the effect of centrifugal distortion are presented. Compared to hitherto existing investi-gations, these results indicate a more complicated conformational behaviour of cyclopropyl iso-cyanate.

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