Calculated and Experimental Geometries and Infrared Spectra of Metal Tris-Acetylacetonates:  Vibrational Spectroscopy as a Probe of Molecular Structure for Ionic Complexes. Part I

2001 ◽  
Vol 105 (1) ◽  
pp. 238-244 ◽  
Author(s):  
Irina Diaz-Acosta ◽  
Jon Baker ◽  
Wallace Cordes ◽  
Peter Pulay
Keyword(s):  
Molecular Structure ◽  
Vibrational Spectroscopy ◽  
Infrared Spectra ◽  
Ionic Complexes

X-ray Structure Refinement and Vibrational Spectroscopy of Ca8Gd2 (PO4)6 O2

2013 ◽  
Vol 12 (10) ◽  
pp. 719-726
Author(s):  
R. Ayadi ◽  
Mohamed Boujelbene ◽  
T. Mhiri
Keyword(s):  
Solid State ◽  
General Formula ◽  
Vibrational Spectroscopy ◽  
Powder Diffraction ◽  
Infrared Spectra ◽  
Solid State Reaction ◽  
Structure Refinement ◽  
Unit Cell ◽  
Cell Group ◽  
X Ray

The present paper is interested in the study of compounds from the apatite family with the general formula Ca10 (PO4)6A2. It particularly brings to light the exploitation of the distinctive stereochemistries of two Ca positions in apatite. In fact, Gd-Bearing oxyapatiteCa8 Gd2 (PO4)6O2 has been synthesized by solid state reaction and characterized by X-ray powder diffraction. The site occupancies of substituents is0.3333 in Gd and 0.3333 for Ca in the Ca(1) position and 0. 5 for Gd in the Ca (2) position.  Besides, the observed frequencies in the Raman and infrared spectra were explained and discussed on the basis of unit-cell group analyses.

scholarly journals Vibrational Spectroscopy of the Borate Mineral Priceite—Implications for the Molecular Structure

2014 ◽  
Vol 48 (2) ◽  
pp. 101-106 ◽  
Author(s):  
Ray L. Frost ◽  
Andrés López ◽  
Ricardo Scholz ◽  
Yunfei Xi
Keyword(s):  
Molecular Structure ◽  
Vibrational Spectroscopy

scholarly journals Surface-specific vibrational spectroscopy of the water/silica interface: screening and interference

2017 ◽  
Vol 19 (25) ◽  
pp. 16875-16880 ◽  
Author(s):  
Jan Schaefer ◽  
Grazia Gonella ◽  
Mischa Bonn ◽  
Ellen H. G. Backus
Keyword(s):  
Molecular Structure ◽  
Vibrational Spectroscopy ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Sum Frequency Generation Spectroscopy ◽  
Frequency Generation

Surface-specific vibrational sum-frequency generation spectroscopy (V-SFG) is used to obtain information about the molecular structure at charged interfaces.

scholarly journals Influence of alkyl chain length and fluorine atoms substitution on infrared spectra of chiral liquid crystalline esters

2017 ◽  
Vol 66 (3) ◽  
pp. 63-74
Author(s):  
Anna Drzewicz ◽  
Marzena Tykarska ◽  
Magdalena Żurowska
Keyword(s):  
Molecular Structure ◽  
Infrared Spectroscopy ◽  
Liquid Crystals ◽  
Infrared Spectra ◽  
Crystalline Phase ◽  
Liquid Crystalline ◽  
Alkyl Chain ◽  
Alkyl Chain Length ◽  
Rigid Core ◽  
Helicoidal Structure

The infrared spectra were registered for series of three-ring liquid crystalline esters, differing in the structure of alkyl chain, in the substitution of benzene ring by fluorine atoms and in the type of helicoidal structure in the chiral smectic CA phase with antiferroelectric properties. The influence of molecular structure on the shift of signals coming from carbonyl group, located in the rigid core, was observed. Keywords: liquid crystals, helicoidal structure, chiral smectic CA phase, antiferroelectric crystalline phase, infrared spectroscopy

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