Chirality, Structure and Hydrogen Bonding in Dithiols: Rotational Spectrum of the Chiral and Meso 2,3-Butanedithiol†

2021 ◽  
pp. 131221
Author(s):  
Marcos Juanes ◽  
Rizalina Tama Saragi ◽  
Oliver Zingsheim ◽  
Stephan Schlemmer ◽  
Alberto Lesarri
Keyword(s):  
Hydrogen Bonding ◽  
Rotational Spectrum

Spectroscopic investigations of hydrogen bonding interactions in the gas phase. II. The determination of the geometry and potential constants of the hydrogen-bonded heterodimer CH 3 CN • • • HF from its microwave rotational spectrum

1980 ◽  
Vol 370 (1741) ◽  
pp. 239-255 ◽  
Keyword(s):  
Hydrogen Bonding ◽  
Gas Phase ◽  
Spectroscopic Constants ◽  
Rotational Spectrum ◽  
Hydrogen Bonding Interactions ◽  
Isotopic Species ◽  
Microwave Rotational Spectrum ◽  
Vibration Rotation ◽  
Hydrogen Bonded

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

Erratum

1986 ◽  
Vol 404 (1826) ◽  
pp. 147-147 ◽  
Keyword(s):  
Hydrogen Bonding ◽  
Gas Phase ◽  
Ground State ◽  
Hyperfine Coupling ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Spectroscopic Investigations ◽  
Hydrogen Bonding Interactions ◽  
Hydrogen Bonded

Proc. R. Soc. Lond. A 401, 327-347 (1985) Spectroscopic investigations of hydrogen bonding interactions in the gas phase. X. Properties of the hydrogen-bonded heterodimer HCN⋯HF determined from hyperfine coupling and centrifugal distortion effects in its ground-state rotational spectrum By A. C. Legon, D. J. Millen and L. C. Willoughby On p. 327, at the end of the abstract, for 0.14 Å read 0.014 Å. On p. 343, line 7, for 0.025 Å read 0.014 Å. On p. 344, line 27, for 25.4° read 21.7°; line 33, for 6.6° read 2.9°. On p. 347, line 12, for 0.025 Å read 0.014 Å.

Competing hydrogen bonding in methoxyphenols: The rotational spectrum of o-vanillin

2011 ◽  
Vol 267 (1-2) ◽  
pp. 112-117 ◽  
Author(s):  
Emilio J. Cocinero ◽  
Alberto Lesarri ◽  
Patricia Écija ◽  
Francisco Basterretxea ◽  
José A. Fernández ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Rotational Spectrum

Water-ketones hydrogen bonding: The rotational spectrum of cyclobutanone-water

2005 ◽  
Vol 123 (16) ◽  
pp. 164304 ◽  
Author(s):  
Sonia Melandri ◽  
Assimo Maris ◽  
B. Michela Giuliano ◽  
Walther Caminati
Keyword(s):  
Hydrogen Bonding ◽  
Rotational Spectrum

Spectroscopic investigations of hydrogen bonding interactions in the gas phase. IV. The heterodimer H 2 0 • • • HF: the observation and analysis of its microwave rotational spectrum and the determination of its molecular geometry and electric dipole moment

1980 ◽  
Vol 372 (1750) ◽  
pp. 441-451 ◽  
Keyword(s):  
Hydrogen Bonding ◽  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Heavy Atom ◽  
Molecular Geometry ◽  
Rotational Spectrum ◽  
Rotational Constants ◽  
Rotational Spectra ◽  
Out Of Plane

The microwave rotational spectra of the isotopic species H 2 18 0 • • • H 19 F, H 2180 • • • H 19 F, HD 16 0 • •. HF, D 2 16 0 • • • DF and D 2 18 0 • • • DF of the hydrogen bonded heterodimer formed between water and hydrogen fluoride have been observed and analysed to give rotational constants. Evidence from the effects of nuclear spin statistical weights in the spectra leads to the conclusion that the dimer H 20 • • • HF is either planar with C2V symmetry or pyramidal with Cg symmetry but with a low barrier to inversion of the configuration at oxygen. r0-values of the heavy atom distance 0 * • • F have been derived from the observed rotational constants, the value for H 2160 • • • H 19 F being 2.662 Aj. The measured values of electric dipole moment in the vibrational ground state and in the state having v^{0) = 1 are 4.07 and 3.80 D respectively. These values show that excitation of the out-of-plane hydrogen bonding bending mode vP(0) leads to a large decrease in the dipole moment.

scholarly journals Rotational spectrum and intramolecular hydrogen bonding in 1,2-butanedithiol

2020 ◽  
Vol 1211 ◽  
pp. 128080 ◽  
Author(s):  
Marcos Juanes ◽  
Rizalina Tama Saragi ◽  
Yan Jin ◽  
Oliver Zingsheim ◽  
Stephan Schlemmer ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Rotational Spectrum ◽  
Intramolecular Hydrogen

Rotational Spectrum and Hydrogen Bonding of the H2O−HO Radical Complex

2005 ◽  
Vol 127 (4) ◽  
pp. 1108-1109 ◽  
Author(s):  
Yasuhiro Ohshima ◽  
Kazuya Sato ◽  
Yoshihiro Sumiyoshi ◽  
Yasuki Endo
Keyword(s):  
Hydrogen Bonding ◽  
Rotational Spectrum ◽  
Radical Complex

scholarly journals Hydrogen bonding in the ethanol–water dimer

2015 ◽  
Vol 17 (37) ◽  
pp. 24210-24214 ◽  
Author(s):  
Ian A. Finneran ◽  
P. Brandon Carroll ◽  
Marco A. Allodi ◽  
Geoffrey A. Blake
Keyword(s):  
Hydrogen Bonding ◽  
Fourier Transform ◽  
Ground State ◽  
Microwave Spectroscopy ◽  
Water Dimer ◽  
Rotational Spectrum ◽  
Chirped Pulse ◽  
Fourier Transform Microwave Spectroscopy

We report the first rotational spectrum of the ground state of the isolated ethanol–water dimer using chirped-pulse Fourier transform microwave spectroscopy between 8–18 GHz.

Hydrogen bonding in liquid methanol at ambient conditions and at high pressure

2000 ◽  
Vol 98 (3) ◽  
pp. 125-134 ◽  
Author(s):  
T. Weitkamp, J. Neuefeind, H. E. Fisch
Keyword(s):  
High Pressure ◽  
Hydrogen Bonding ◽  
Ambient Conditions
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