Rotational Spectra of Two Hydrogen-Bonded Methyl Salicylate Monohydrates: Relative Stability and Tunneling Motions

2015 ◽  
Vol 6 (16) ◽  
pp. 3126-3131 ◽  
Author(s):  
Supriya Ghosh ◽  
Javix Thomas ◽  
Wenyuan Huang ◽  
Yunjie Xu ◽  
Wolfgang Jäger
Keyword(s):  
Relative Stability ◽  
Methyl Salicylate ◽  
Rotational Spectra ◽  
Hydrogen Bonded

Spectroscopic investigations of hydrogen bonding interactions in the gas phase. V.t The identification and determination of the geometry and electric dipole moment of the hydrogen bonded heterodimer formed between oxirane and hydrogen fluoride, (CH 2 ) 2 O • • • HF, by infrared and microwave spectroscopy

1981 ◽  
Vol 373 (1755) ◽  
pp. 511-526 ◽  
Keyword(s):  
Hydrogen Fluoride ◽  
Point Group ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Rotational Spectra ◽  
Hydrogen Bonding Interactions ◽  
Pyramidal Configuration ◽  
Centrifugal Distortion Constants ◽  
Hydrogen Bonded

The hydrogen bonded heterodimer formed between oxirane and hydrogen fluoride has been identified through its infrared and microwave spectra. Rotational constants/MHz and centrifugal distortion constants/kHz for the following isotopic varieties have been derived from an analysis of the rotational spectra in the vibrational ground state: A B A (CH 2 ) 2 160* • -HF 16099 3638.75 3462.31 15.3 25.8 (CH2)2160- • *DF 15984 3605.66 3434.85 14.1 20.9 For the species (CH2)2180 • • • HF only the rotational constants 7059.7 MHz and B — C = 135 MHz could be obtained. It is established from arguments based on Pband A that the dimer has a pyramidal configuration at the oxygen atom and that the molecular point group is (7g. If the justifiable assumption is made that the monomer geometries are unchanged on dimer formation, then the observed rotational constants for (CH 2 )2160* • -H F leadtor0(O* • *F) = 2.627 A ja n d ^ = 71.8°, where ^ is the angle between the plane of the three-membered ring and the H—F direction. Replacement of H by D in the hydrogen bond does not significantly change these values.

Infrared spectra of hydrogen-bonded salicylic acid and its derivatives. Methyl salicylate

1985 ◽  
Vol 63 (6) ◽  
pp. 1344-1344
Author(s):  
Marek J. Wójcik ◽  
Czeslawa Paluszkiewicz
Keyword(s):  
Salicylic Acid ◽  
Infrared Spectra ◽  
Methyl Salicylate ◽  
Hydrogen Bonded

not available

Rotational spectra and structure of the hydrogen-bonded complex oxetane⋯HCl

2001 ◽  
Vol 334 (4-6) ◽  
pp. 250-256 ◽  
Author(s):  
Sonia Antolı́nez ◽  
Juan C. López ◽  
José L. Alonso
Keyword(s):  
Rotational Spectra ◽  
Hydrogen Bonded

ChemInform Abstract: LOWEST EXCITED SINGLET STATE OF HYDROGEN-BONDED METHYL SALICYLATE

1983 ◽  
Vol 14 (17) ◽  
Author(s):  
L. A. HEIMBROOK ◽  
J. E. KENNY ◽  
B. E. KOHLER ◽  
G. W. SCOTT
Keyword(s):  
Methyl Salicylate ◽  
Singlet State ◽  
Excited Singlet State ◽  
Excited Singlet ◽  
Hydrogen Bonded

Infrared spectra of hydrogen-bonded salicylic acid and its derivatives. Methyl salicylate

1983 ◽  
Vol 61 (7) ◽  
pp. 1449-1452 ◽  
Author(s):  
Marek J. Wójcik ◽  
Czesława Paluszkiewicz
Keyword(s):  
Infrared Spectra ◽  
Methyl Salicylate ◽  
Low Frequency ◽  
Far Infrared ◽  
Gaseous State ◽  
Stretching Vibration ◽  
Intramolecular Hydrogen ◽  
Solid Liquid ◽  
Far Infrared Spectra ◽  
Hydrogen Bonded

Infrared spectra of hydrogen-bonded methyl salicylate have been studied in the temperature range 173–293 K, in solutions of various concentrations (in CCl4) and in the gaseous state. Results show that the molecules form monomerie intramolecular hydrogen bonds in the solid, liquid, and gaseous state. Far-infrared spectra were recorded which give the wavenumber of low-frequency O … O mode used in theoretical reconstruction of the band connected with the O—H stretching vibration. The position and especially the width of this band are determined to a large extent by the influence of the environment.

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