Hydrogen bonding effects on infrared and Raman spectra of drug molecules

2007 ◽  
Vol 66 (2) ◽  
pp. 213-224 ◽  
Author(s):  
Laban Bondesson ◽  
Kurt V. Mikkelsen ◽  
Yi Luo ◽  
Per Garberg ◽  
Hans Ågren
Keyword(s):  
Hydrogen Bonding ◽  
Raman Spectra ◽  
Infrared And Raman Spectra ◽  
Drug Molecules

Vibration spectra of sulphur tetranitride

1981 ◽  
Vol 46 (11) ◽  
pp. 2613-2619 ◽  
Author(s):  
Jiří Toužín
Keyword(s):  
Solid State ◽  
Raman Spectra ◽  
Normal Coordinate Analysis ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Vibration Spectra

Available data on infrared and Raman spectra of S4N4 in solid state and solutions have been verified and completed. On the basis of normal coordinate analysis an attempt has been made to define with more precision the interpretation of vibration spectra of this compound given in earlier reports.

Vibrational spectra of aquadioxotetra; peroxodivanadates(V) M2[V2O2(O2)4(H2O)]·xH2O (M = N(CH3)4, Cs)

1990 ◽  
Vol 55 (6) ◽  
pp. 1485-1490 ◽  
Author(s):  
Peter Schwendt ◽  
Milan Sýkora
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Infrared And Raman Spectra ◽  
Empirical Correlations ◽  
Normal Coordinate ◽  
Bond Lengths ◽  
Stretching Vibrations

The infrared and Raman spectra of M2[V2O2(O2)4(H2O)]·xH2O and M2[V2O2(O2)4(D2O)]·xD2O (M = N(CH3)4, Cs) were measured. In the region of the vanadium-oxygen stretching vibrations, the spectra were interpreted based on normal coordinate analysis, employing empirical correlations between the bond lengths and force constants.

Infrared and Raman Spectra, conformations,ab initio calculations and spectral assignments of 1,3-disilabutane (SiH3CH2SiH2CH3)

2007 ◽  
Vol 38 (9) ◽  
pp. 1159-1173 ◽  
Author(s):  
Gamil A. Guirgis ◽  
Paul M. Mazzone ◽  
Daniel N. Pasko ◽  
Peter Klaeboe ◽  
Anne Horn ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Infrared And Raman Spectra

scholarly journals Hydrogen Bonds: Raman Spectroscopic Study

2021 ◽  
Vol 22 (10) ◽  
pp. 5380
Author(s):  
Boris A. Kolesov
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Spectroscopic Study ◽  
Raman Spectra ◽  
Temperature Region ◽  
Vibrational Frequency ◽  
Chemical Compounds ◽  
Raman Spectroscopic ◽  
Raman Spectroscopic Study ◽  
Proton Dynamics

The work outlines general ideas on how the frequency and the intensity of proton vibrations of X–H×××Y hydrogen bonding are formed as the bond evolves from weak to maximally strong bonding. For this purpose, the Raman spectra of different chemical compounds with moderate, strong, and extremely strong hydrogen bonds were obtained in the temperature region of 5 K–300 K. The dependence of the proton vibrational frequency is schematically presented as a function of the rigidity of O-H×××O bonding. The problems of proton dynamics on tautomeric O–H···O bonds are considered. A brief description of the N–H···O and C–H···Y hydrogen bonds is given.

Raman Spectra of Solid (NH4)2CrO4 and (ND4)2CrO4 Obtained by a Rotating Cell Technique

1976 ◽  
Vol 30 (2) ◽  
pp. 187-190 ◽  
Author(s):  
Robert L. Carter ◽  
L. Kevin O'Hare
Keyword(s):  
Hydrogen Bonding ◽  
Alkali Metal ◽  
Raman Spectra ◽  
Sampling Technique ◽  
Solid Sampling ◽  
Monoclinic Structure ◽  
Ammonium Ions ◽  
Cylindrical Cell ◽  
Sample Rotation ◽  
Rotation Technique

The Raman spectra of polycrystalline (NH4)2CrO4 and (ND4)2CrO4 have been obtained by a sample rotation technique where the uncompressed solid is contained in a glass cylindrical cell. The apparatus is a commerically available sample rotator for liquids, which was modified for the described solid sampling technique. The Raman spectra of (NH4)2CrO4 and (ND4)2CrO4 are discussed in relation to their uniquely monoclinic structure, in contrast to the β-K2SO4 structure found for (NH4)2SO4 and many alkali metal chromates and sulfates. The hydrogen bonding in (NH4)2CrO4 is described, and its role in determining both the structure and the Raman spectra is discussed. The data suggest a barrier to NH4+ rotation of approximately 3.70 kcal/mol, indicating that the ammonium ions are not freely rotating on the time scale of the Raman experiment (10−13 sec).

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