Crystal symmetry of the chlorate anion in host structures

1985 ◽  
Vol 50 (5) ◽  
pp. 1147-1152 ◽  
Author(s):  
Bohumil Hájek ◽  
Alexander Muck ◽  
Olga Smrčková
Keyword(s):  
Infrared Spectra ◽  
Group Analysis ◽  
Crystal Symmetry ◽  
Site Symmetry ◽  
Host Structure

The infrared spectra were studied for the pyramidal ClO3- anion (C3v) embedded in host structures of various symmetries. Small amounts of NaClO3 or KClO3 were incorporated in NaBrO3 (T4), NaIO3 (D162h), KBrO3 (C3v5), and KIO3 (C11) structures. The ClO3- anion was found to assume the site symmetry of the host structure anion, i.e. C3, Cs, C3v, and C1, respectively, in accordance with the results of group analysis.

Infrared spectra of the NO3- anion in NaClO4, Na2SO4, NaClO3, and NaIO3 host structures

1987 ◽  
Vol 52 (12) ◽  
pp. 2886-2889 ◽  
Author(s):  
Bohumil Hájek ◽  
Alexander Muck ◽  
Olga Smrčková
Keyword(s):  
Infrared Spectra ◽  
Group Analysis ◽  
Crystal Symmetry ◽  
Site Symmetry ◽  
Additional Symmetry ◽  
Host Structure

The planar NO3- ion (own symmetry D3h) was embedded in NaClO4, Na2SO4, NaClO3 and NaIO3 host structures containing tetrahedral (Td) or pyramidal (C3v) anions, and its infrared spectra were interpreted in terms of group analysis of the crystal symmetry. Where the correlation is satisfied, viz. in NaClO4, NaClO3 and NaIO3, the NO3- anion possesses the site symmetry of the host structure (C2v, C3 and Cs, respectively), whereas in Na2SO4 an additional symmetry lowering takes place (D2 → C2).

Vibration spectra of mixed crystals Sc(PO4, VO4) and Y(PO4, VO4)

1982 ◽  
Vol 47 (4) ◽  
pp. 1176-1183 ◽  
Author(s):  
Alexander Muck ◽  
Olga Smrčková ◽  
Bohumil Hájek
Keyword(s):  
Infrared Spectra ◽  
Group Analysis ◽  
Point Of View ◽  
Mixed Crystals ◽  
Site Symmetry ◽  
Lattice Vibrations ◽  
Vibration Spectra ◽  
Space Group

Infrared spectra of mixed crystals Sc(PO4, VO4) and Y(PO4, VO4) have been studied from the point of view of group analysis. These systems form substitution mixed crystals in tetragonal space group D194h. The anions having proper symmetry Td or D2d in site symmetry D2d exhibit in spectra lowering of the site symmetry to effective C2 as a result of lattice vibrations of the type T(B2).

Infrared spectra of unannealed and of annealed Cu4(OH)6(NO3)2

1987 ◽  
Vol 65 (10) ◽  
pp. 2504-2508 ◽  
Author(s):  
Etalo A. Secco ◽  
Glen G. Worth
Keyword(s):  
Infrared Spectra ◽  
Group Analysis ◽  
Site Symmetry ◽  
Torsional Mode ◽  
Oh Groups ◽  
Distinct Individual ◽  
Striking Change ◽  
Bending Modes ◽  
Combination Bands ◽  
First Time

The infrared spectra over the range 4000–150 cm−1 of Cu4(OH)6(NO3)2 along with site group and factor group analysis are reported for the first time. The observed absorption frequencies associated with OH and NO3 modes show distinct individual spectral features in the unannealed and annealed Cu4(OH)6(NO3)2. Three distinct types of OH groups involving different degrees of H-bonding are evident. The multiple frequencies involving Cu—O—H bending modes further reflect the varying degrees of H-bonding and OH coupling in Cu(OH)4O2 and Cu(OH)5O entities paralleling their behavior in Cu4(OH)6SO4. The NO3 internal optic modes' activities, fundamentals along with overtones and combination bands, illustrate distinct interaction effects (OH and Cu) with respect to specific modes relative to halo-nitrates with same site symmetry. The presence of CuO in the sample after the anneal effected a striking change in ν3. The Cu—O, O—Cu—O, and OH torsional mode frequencies show consistent behavior with Cu4(OH)6SO4.

Spectroscopic properties of SO4 (and OH) in different molecular and crystalline environments. I. Infrared spectra of Cu4(OH)6SO4, Cu4(OH)4OSO4, and Cu3(OH)4SO4

1988 ◽  
Vol 66 (2) ◽  
pp. 329-336 ◽  
Author(s):  
Etalo A. Secco
Keyword(s):  
Infrared Spectra ◽  
Dipolar Coupling ◽  
Group Analysis ◽  
Spectroscopic Properties ◽  
Site Symmetry ◽  
Oh Groups ◽  
Distinct Individual ◽  
Multiple Frequencies ◽  
Bending Modes ◽  
First Time

The infrared spectra over the range 4000–50 cm−1 of three copper basic sulfates, viz. Cu4(OH)6SO4, Cu4(OH)4OSO4, Cu3(OH)4SO4 along with site group and factor group analysis for Cu4(OH)6SO4 are reported for the first time. The observed absorption frequencies associated with OH and SO4 activities show distinct individual structural features.Three distinct types of OH groups are present in Cu4(OH)6SO4 and Cu4(OH)4OSO4 but only two types are evident in Cu3(OH)4SO4. The two OH groups involved in the dehydroxylation reaction to give the oxycompound Cu4(OH)4OSO4 are tentatively identified. The multiple frequencies involving Cu—O—H bending modes further reflect the varying degrees of H-bonding and OH coupling in Cu(OH)4O2 and Cu(OH)5O entities.The SO4 internal optic modes' multiplet structure and frequencies in the basic sulfates illustrate the different extent of dipolar coupling effects (OH and Cu) with respect to specific modes relative to Li2SO4 with same site symmetry. The SO4 external optic modes relative to Li2SO4 are barely affected by neighboring OH groups.The Cu—O mode frequencies show parallel behavior with minor interaction effects in all compounds.

Infrared spectroscopic study of the YPO4-YCrO4 system

1985 ◽  
Vol 50 (10) ◽  
pp. 2139-2145
Author(s):  
Alexander Muck ◽  
Eva Šantavá ◽  
Bohumil Hájek
Keyword(s):  
Spectroscopic Study ◽  
Infrared Spectra ◽  
Point Of View ◽  
Mixed Crystals ◽  
Crystal Symmetry ◽  
Infrared Spectroscopic Study ◽  
X Ray Diffraction ◽  
X Ray ◽  
Infrared Spectroscopic ◽  
Diffraction Patterns

The infrared spectra and powder X-ray diffraction patterns of polycrystalline YPO4-YCrO4 samples are studied from the point of view of their crystal symmetry. Mixed crystals of the D4h19 symmetry are formed over the region of 0-30 mol.% YPO4 in YCrO4. The Td → D2d → D2 or C2v(GS eff) correlation is appropriate for both PO43- and CrO43- anions.

Infrared Spectra of Crystalline Acetic Acid, a Hydrogen-Bonded Polymer

1977 ◽  
Vol 31 (2) ◽  
pp. 110-115 ◽  
Author(s):  
P. F. Krause ◽  
J. E. Katon ◽  
J. M. Rogers ◽  
D. B. Phillips
Keyword(s):  
Hydrogen Bonding ◽  
Acetic Acid ◽  
Infrared Spectra ◽  
Group Analysis ◽  
Structural Models ◽  
Factor Group ◽  
Vibrational Modes ◽  
Cryogenic Temperatures ◽  
Polymeric Chains ◽  
Hydrogen Bonded

The polarized infrared spectra of crystalline acetic acid and two of its deuterated derivatives, CH3COOD and CD3COOD, have been recorded from 400 to 4000 cm−1 at cryogenic temperatures. The spectroscopic results have been interpreted on the basis of a factor group analysis based on two structural models: a crystallographic cell composed of four interacting monomer units some of whose vibrational modes are highly perturbed by hydrogen bonding and a unit cell composed of two noninteracting acetic acid chains. The results are discussed in terms of possible interactions between the hydrogen-bonded acetic acid polymeric chains.

scholarly journals Site symmetry and crystal symmetry: a spherical tensor analysis

2008 ◽  
Vol 20 (45) ◽  
pp. 455205 ◽  
Author(s):  
Christian Brouder ◽  
Amélie Juhin ◽  
Amélie Bordage ◽  
Marie-Anne Arrio
Keyword(s):  
Crystal Symmetry ◽  
Tensor Analysis ◽  
Site Symmetry

Bestimmung der Kraftkonstanten der Hexafluoro-Komplexe des Technetium(IV) und Rhenium(IV) auf der Basis der D4h-Symmetrie

1970 ◽  
Vol 25 (2) ◽  
pp. 206-210 ◽  
Author(s):  
Wolfgang Krasser ◽  
Klaus Schwochau
Keyword(s):  
Force Field ◽  
Infrared Spectra ◽  
Force Constants ◽  
Irreducible Representations ◽  
Octahedral Complex ◽  
Site Symmetry ◽  
Complex Ions ◽  
Linear Combinations ◽  
Valence Force Field ◽  
Stretching Vibrations

Abstract The infrared spectra of potassium and cesium hexafluorotechnetate (IV) and -rhenate(IV) show a D4h-distortion of the octahedral complex ions. The splitting of degeneracies is not due to site symmetry. The linear combinations of the force constants of the irreducible representations A2u and Eu are determined in the valence force field on the basis of D4h-symmetry. As expected the force constants of stretching vibrations of [TcF6]-- are then smaller than those of [ReF6]--.

The Vibrational Spectra of VPO5 Crystal Phases and Related Glasses

1977 ◽  
Vol 31 (3) ◽  
pp. 230-236 ◽  
Author(s):  
R. N. Bhargava ◽  
R. A. Condrate
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Rayleigh Scattering ◽  
Physical Adsorption ◽  
Group Analysis ◽  
Phosphate Glasses ◽  
Infrared And Raman Spectra ◽  
Vanadium Phosphate ◽  
Space Groups

Infrared and Raman spectra were measured and interpreted for two crystalline VPO5 phases (α- and β-VPO5) and several related vanadium phosphate glasses. The spectral results for the crystalline phases were consistent with those predicted by factor group analysis using the previously determined space groups. Empirical band assignments were made for the observed bands on the basis of the bands observed earlier for related phosphate and oxyvanadium compounds. Also, the band assignments made for the infrared spectra of the glasses were consistent with the assignments for crystalline V2O5 and the two crystalline VPO5 phases. No Raman spectra were observed for the glasses because processes involving adsorption and Rayleigh scattering dominated over Raman scattering. The infrared spectra of vanadium phosphate glasses with high P2O5 concentrations possessed many features resembling those observed in the infrared spectra of α-VPO5, suggesting similarities in the short range order for the two materials. Analyses of the vibrational spectra of hydrated α-VPO5 samples suggests that the water molecules are adsorbed in the interlamellar spaces of the crystals, complexing to vanadium ions. Initial steps in the hydration of vanadium phosphate glasses apparently involve physical adsorption of water on their surfaces. No water adsorption could be detected for β-VPO5 under normal conditions from its infrared and Raman spectra.

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