Molecular modeling and infrared and Raman spectroscopy of the crystal structure of the chiral antiparasitic drug Praziquantel

2017 ◽  
Vol 23 (4) ◽  
Author(s):  
Ana Borrego-Sánchez ◽  
Alfonso Hernández-Laguna ◽  
C. Ignacio Sainz-Díaz
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Molecular Modeling ◽  
Antiparasitic Drug ◽  
Infrared And Raman Spectroscopy

Cyanoplatinate Halides – Synthesis, Crystal Structure Analyses and Vibrational Spectroscopy of Compounds A2[Pt(CN)4X2] (A = Rb, Cs; X = Cl, Br, I)

2010 ◽  
Vol 65 (9) ◽  
pp. 1066-1072 ◽  
Author(s):  
Claus Mühle ◽  
Jürgen Nuss ◽  
Robert E. Dinnebier ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Thermal Analysis ◽  
Raman Spectroscopy ◽  
Differential Thermal Analysis ◽  
Alkali Metal ◽  
X Ray ◽  
Infrared And Raman Spectroscopy ◽  
In Trans ◽  
Cyanide Ligands ◽  
Single Crystal Analysis

Crystal structures of the cyanoplatinates A2[Pt(CN)4X2] (A = Rb, Cs; X = Cl, Br, I) have been determined by single-crystal analysis and X-ray powder diffraction. The compounds were synthesized by metathesis from Ba[Pt(CN)4] ·4 H2O and alkali metal sulfates, and by subsequent oxidation with the respective halogens. The crystals were grown by slowly concentrating respective aqueous solutions. The PtIV cations are octahedrally coordinated by four cyanide ligands and two halogen atoms, the latter being located in trans positions. Rb2[Pt(CN)4Cl2]: triclinic, P¯1 (Z = 2), a = 6.7779(2), b = 9.3149(3), c = 9.6707(3) Å , α = 89.37(0), β = 76.05(0), γ = 72.98(0)◦, V = 565.42(2) Å3, N` hkl= 5616, R(F)N` = 0.0273; Rb2[Pt(CN)4I2]: monoclinic, P21/c (Z = 2), a = 7.4239(2), b = 9.2486(2), c = 9.1189(2) Å , β = 107.22(3)◦, V = 598.04(6) Å3, N` hkl = 2917, R(F)N` = 0.0295; Cs2[Pt(CN)4I2]: monoclinic, P21/c (Z = 2), a = 7.6740(4), b = 9.5397(5), c = 9.3474(5) Å , β = 106.46(0)◦, V = 656.3(2) Å3, Z = 2, N` hkl = 2738, R(F)N` = 0.0283; Cs2[Pt(CN)4Cl2]: monoclinic, C2/c (Z = 4), a = 17.947(4), b = 7.395(2), c = 12.031(3) Å , β = 131.904(1)◦, V = 1188.4(5) Å3, R-wp = 2.77; Cs2[Pt(CN)4Br2]: monoclinic, C2/c (Z = 4), a = 18.404(1), b = 7.2819(5), c = 12.4156(8) Å , β = 132.156(1)◦, V = 1233.5(1) Å3, N` hkl = 2566, R(F)N` = 0.0268. All compounds were characterized by differential thermal analysis, thermogravimetry, and infrared and Raman spectroscopy.

Synthesis, structure, and vibrational spectrum of poly-μ-pyrazine(pyrazine)(trifluoromethanesulfonato-O)copper(I)

1989 ◽  
Vol 67 (11) ◽  
pp. 1964-1969 ◽  
Author(s):  
T. Otieno ◽  
S. J. Rettig ◽  
R. C. Thompson ◽  
J. Trotter
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Copper Ions ◽  
Heavy Atom ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Methanol Solutions ◽  
Infrared And Raman Spectroscopy ◽  
Spectroscopy Studies

Orange–brown crystals of composition Cu(pyz)2(CF3SO3) (pyz = pyrazine, 1,4-diazine) were obtained from methanol solutions containing Cu(CF3SO3)2 and pyrazine in approximate 1:2 mole ratio. Single crystal X-ray diffraction and infrared and Raman spectroscopy studies are reported. Crystals of the title compound are triclinic, a = 8.312(2), b = 10.903(3), c = 8.201(2) Å, α = 92.53(2), β = 113.77(2), γ = 91.40(2)°, Z = 2, space group [Formula: see text] The structure was solved by heavy atom methods and was refined by full-matrix least-squares to R = 0.035 and Rw = 0.044 for 2458 reflections with 1 ≥ 3σ(I). The compound contains chains of copper ions linked by bidentate bridging pyrazine ligands. The coordination around each copper is completed by monodentate pyrazine and trifluoromethanesulfonato groups to produce a distorted tetrahedral CuN3O chromophore. Keywords: crystal structure, μ-pyrazine copper(I) triflate polymer, vibrational spectra.

Identification of filler substances in emeralds by infrared and Raman spectroscopy

2000 ◽  
Vol 26 (1) ◽  
pp. 501-520 ◽  
Author(s):  
L. Kiefert ◽  
H.A. Hänni ◽  
J-P. Chalain ◽  
W. Weber
Keyword(s):  
Raman Spectroscopy ◽  
Infrared And Raman Spectroscopy

scholarly journals Multivariate approach for the authentication of vanilla using infrared and Raman spectroscopy

2021 ◽  
Vol 141 ◽  
pp. 110196
Author(s):  
Ana M. Jiménez-Carvelo ◽  
Margherita Tonolini ◽  
Orla McAleer ◽  
Luis Cuadros-Rodríguez ◽  
Daniel Granato ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Multivariate Approach ◽  
Infrared And Raman Spectroscopy

scholarly journals Authentication of the Botanical and Geographical Origin and Detection of Adulteration of Olive Oil Using Gas Chromatography, Infrared and Raman Spectroscopy Techniques: A Review

Foods ◽  
2021 ◽  
Vol 10 (7) ◽  
pp. 1565
Author(s):  
Eleni Kakouri ◽  
Panagiota-Kyriaki Revelou ◽  
Charalabos Kanakis ◽  
Dimitra Daferera ◽  
Christos S. Pappas ◽  
...  
Keyword(s):  
Gas Chromatography ◽  
Raman Spectroscopy ◽  
Olive Oil ◽  
Nutritional Value ◽  
Review Paper ◽  
Geographical Origin ◽  
Analytical Techniques ◽  
Volatile Fraction ◽  
Olive Oils ◽  
Infrared And Raman Spectroscopy

Olive oil is among the most popular supplements of the Mediterranean diet due to its high nutritional value. However, at the same time, because of economical purposes, it is also one of the products most subjected to adulteration. As a result, authenticity is an important issue of concern among authorities. Many analytical techniques, able to detect adulteration of olive oil, to identify its geographical and botanical origin and consequently guarantee its quality and authenticity, have been developed. This review paper discusses the use of infrared and Raman spectroscopy as candidate tools to examine the authenticity of olive oils. It also considers the volatile fraction as a marker to distinguish between different varieties and adulterated olive oils, using SPME combined with gas chromatography technique.

scholarly journals Study of anisotropic thermal conductivity in textured thermoelectric alloys by Raman spectroscopy

RSC Advances ◽  
2021 ◽  
Vol 11 (39) ◽  
pp. 24456-24465
Author(s):  
Rapaka S. C. Bose ◽  
K. Ramesh
Keyword(s):  
Crystal Structure ◽  
Thermal Conductivity ◽  
Raman Spectroscopy ◽  
Transport Properties ◽  
Thermal Transport ◽  
Layered Crystal ◽  
Layered Crystal Structure ◽  
Thermal Transport Properties ◽  
Anisotropic Thermal Conductivity ◽  
P Type

Polycrystalline p-type Sb1.5Bi0.5Te3 (SBT) and n-type Bi2Te2.7Se0.3 (BTS) compounds possessing layered crystal structure show anisotropic electronic and thermal transport properties.

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