Vibrational analysis of a series of n-alkyl fluorides in the solid state

1983 ◽  
Vol 99 (1-2) ◽  
pp. 77-91 ◽  
Author(s):  
G.A. Crowder ◽  
James M. Lightfoot
Keyword(s):  
Solid State ◽  
Vibrational Analysis ◽  
Alkyl Fluorides

Vibrational analysis of cinchona alkaloids in the solid state and aqueous solutions

2015 ◽  
Vol 46 (11) ◽  
pp. 1041-1052 ◽  
Author(s):  
Maciej Roman ◽  
Katarzyna Chruszcz-Lipska ◽  
Malgorzata Baranska
Keyword(s):  
Solid State ◽  
Aqueous Solutions ◽  
Vibrational Analysis ◽  
Cinchona Alkaloids

Complex Vibrational Analysis of an Antiferroelectric Liquid Crystal Based on Solid-State Oriented Quantum Chemical Calculations and Experimental Molecular Spectroscopy

2012 ◽  
Vol 116 (30) ◽  
pp. 7809-7821 ◽  
Author(s):  
Kacper Drużbicki ◽  
Edward Mikuli ◽  
Antoni Kocot ◽  
Mirosława Danuta Ossowska-Chruściel ◽  
Janusz Chruściel ◽  
...  
Keyword(s):  
Liquid Crystal ◽  
Solid State ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Molecular Spectroscopy ◽  
Vibrational Analysis

Vibrational Analysis of Diethylselenide in the Solid State

1989 ◽  
Vol 22 (10) ◽  
pp. 1323-1332
Author(s):  
A. Morresi ◽  
G. Paliani ◽  
S. Santini ◽  
R. S. Cataliotti
Keyword(s):  
Solid State ◽  
Vibrational Analysis

scholarly journals Solid-state linear polarized IR-spectroscopy of croconic and rhodizonic acids

2008 ◽  
Vol 6 (3) ◽  
pp. 393-399 ◽  
Author(s):  
Tsonko Kolev ◽  
Bojidarka Koleva ◽  
Michael Spiteller
Keyword(s):  
Solid State ◽  
Ir Spectroscopy ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Vibrational Analysis ◽  
Basis Set ◽  
Experimental Ir ◽  
Vibrational Assignments ◽  
Neutral Compounds ◽  
Polarized Ir Spectroscopy

AbstractThe applications of linear-polarized IR-spectroscopy to oriented colloid suspensions in a nematic host are demonstrated with croconic and rhodizonic acids. The experimental IR vibrational assignments of the solid-state of both neutral compounds are presented. Assignments are supported by theoretical quantum chemical calculations and vibrational analysis at the DFT level of theoretical approximation with the 6-311++G** basis set.

scholarly journals Ab initio and infrared spectral study of 4′-substituted phenylthiolbenzoates

2003 ◽  
Vol 1 (2) ◽  
pp. 98-107 ◽  
Author(s):  
Bojidarka Ivanova ◽  
Michail Arnaudov
Keyword(s):  
Solid State ◽  
Ab Initio ◽  
Vibrational Analysis ◽  
Basis Set ◽  
Frequency Assignment ◽  
Torsional Angle ◽  
Extended Form ◽  
Experimental Ir ◽  
Phenyl Rings ◽  
Infrared Spectral

AbstractThe geometry of the 4′-cyano-(4′-CNPTB) and the 4′-methoxy-(4′-MePTB) phenylthiolbenzoates were obtained by ab initio calculations employing 6–31G basis set at Hartee-Fock level of theory. The results predict an extended form of the molecules and torsional angle between the phenyl rings at 90.85(6)0 and 90.87(3)0, respectively. On the basis of vibrational analysis the frequency assignment was carried out. The calculated frequencies were compared with the experimental IR spectral data in carbon tetrachloride, carbon disulfide solutions and in solid state.

Solid-state vibrational spectra and theoretical study of alaninamide acetate

2007 ◽  
Vol 61 (6) ◽  
Author(s):  
T. Kolev
Keyword(s):  
Solid State ◽  
Nmr Spectra ◽  
Theoretical Study ◽  
Solid Phase ◽  
Vibrational Analysis ◽  
Spectroscopic Properties ◽  
13C Nmr Spectra ◽  
1H And 13C Nmr ◽  
Raman Spectroscopic ◽  
Ir And Raman

AbstractSolid-state IR and Raman spectroscopic elucidation of alaninamide acetate is preformed by means of the possibilities of linear-polarized IR and Raman methods. The experimental assignment is compared with theoretical vibrational analysis with the intention to explain the influence of intermolecular interactions in solid phase on the spectroscopic properties of the compound studied. The 1H and 13C NMR spectra in solution are compared with the corresponding ones of alanine, studying the amidation effect on the chemical shift signals in the alanine moieties.

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