The microwave rotational spectrum of the n-propanol-OD molecule. OD-gauche-trans and OD-gauche-gauche conformers

1984 ◽  
Vol 25 (2) ◽  
pp. 333-336 ◽  
Author(s):  
A. A. Abdurakhmanov ◽  
G. I. Ismailzade

The microwave rotational spectrum of the hydrogen-bonded heterodimer CH 3 CN • • • HF has been identified and shown to be characteristic of a symmetric top. A detailed analysis of several rotational transitions for a variety of isotopic species gives the spectroscopic constants summarized in the following table: Rotational constants/MHz, vibration-rotation constants/MHz and vibrational separations/cm -1 of CH 3 CN • • • HF


The hydrogen bonded dimer formed between cyanoacetylene and hydrogen fluoride has been identified through its infrared and microwave spectra. Two microwave techniques, continuous wave and pulsed-nozzle Fourier-transform spectroscopy, have been combined to identify unambiguously the vibrational ground state transitions and to assign vibrational satellites. In making the assignments, much use has been made of computer simu­lation of spectra, which is described in an Appendix. Analysis of the microwave spectra led to the following spectroscopic constants and molecular parameters. HC 3 N ∙ ∙ ∙HF HC 3 N∙ ∙ ∙DF B 0 /MHz 1220.68431 (9) 1204.9051 (2) D J /kHz 0.306 (2) 0.296 (3) α β /MHz ─7.20 (2) — γ β /MHz 0.094 (3) — γ 11 /MHz ─0.030 (2) — α σ /MHz ─13.7 (2) — q β /MHz 3.12 (2) — r 0 (N ∙ ∙ ∙ F)/nm 0.2788 0.2785 X /MHz ─ 3.876 ─ 3.854 v β /cm -1 30 — v σ /cm -1 139 — k σ /(N m -1 ) 16.3 — k s /(N m -1 ) 770 — Finally, the variation of ∆ v̄ as a function of r 0 (N ∙ ∙ ∙ F) has been examined for a series of dimers RCN ∙ ∙ ∙ HF.


1969 ◽  
Vol 24 (4) ◽  
pp. 634-636 ◽  
Author(s):  
F. J. Lovas ◽  
T. Törring

Abstract The rotational transitions J = 1 → 2 and 2 → 3 were measured in 115In19F. From these spectra the following molecular parameters have been determined: the Dunham-coefficients Y01, Y11 and Y02, the quadrupole coupling constants, eqQ, in the ν = 0 and v = 1 vibrational states as well as the spin-rotation coupling constant cIn.


1966 ◽  
Vol 45 (9) ◽  
pp. 3318-3326 ◽  
Author(s):  
G. A. L. Delvigne ◽  
H. W. de Wijn

1965 ◽  
Vol 20 (12) ◽  
pp. 1682-1686 ◽  
Author(s):  
Heinz Dieter Rudolph ◽  
Helmut Seiler

The microwave rotational spectrum of para-fluoro-toluene has been investigated in the region from 7 to 31 kmc/s. The three types of absorption lines to be expected in the case of a molecule of this type, i. e. with a very low sixfold barrier hindering the internal rotation of the methyl group, have been found: m=0, | m | ≠ 0, 3 n, | m | = 3 n. From the lines m=0 the rotational constants and the dipole moment, (1.96 ± 0.02) D, have been deduced; from the lines |m|=3 the internal rotation barrier could be calculated as V6=13.82 cal/mole. This V6 is compared with the values found for similar molecules.


1971 ◽  
Vol 10 (4) ◽  
pp. 351-354 ◽  
Author(s):  
D Damiani ◽  
A.M Mirri

1972 ◽  
Vol 57 (9) ◽  
pp. 4060-4061 ◽  
Author(s):  
Ramesh K. Kakar ◽  
Peter J. Seibt

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