Spectres de vibration du Cristal de Biphényle à Basse Température

Abstract

Low-temperature infrared and Raman spectra of Crystalline biphenyl have been investigated in the 3100–25 cm^?1 range, and those of biphenyl-D₁₀ between 200 and 25 cm^?1. The infrared dichroism of an Oriented crystal at 77°K has been measured in the 3100–400 cm^?1 region. The assignment for the internal modes V ₅(B_2u), v ₆ (B_2u), v ₁(B_1u), v ₁₀(B_1g), v ₂(B_2g) et v ₃ (B_3g) is given.

The band splitting is analized and hte components due ot the correlation effect in the fundamentals are separated from the components due to combinations. Isotopic shifts are used to assign the nine external vibrations as well as the torsional mode. The temperature effect on the frequencies occuring below 500 cm^?1 is discussed.     

Vibrational Studies of Bis(thiourea) Cadmium Chloride and Tris(thiourea) Zinc Sulphate Semiorganic Non-linear Optical Crystals

Single crystals of Bis(thiourea) cadmium chloride (BTCC), and Tris(thiourea) zinc sulphate (TZnS) have been grown from saturated aqueous solution by slow evaporation method at room temperature. The laser Raman and FT-IR spectra on these crystals are recorded in the frequency range 50–4000 cm⁻¹. The spectral data of BTCC and TZnS are interpreted on the basis of thiourea crystal vibrational data. The vibrational frequencies in the FT-IR and Raman spectra of BTCC and TZnS establish that ZnSO₄ and CdCl₂ metal complex are coordinated with thiourea by the metal to sulfur bonds. The effect of the metal complexation on thiourea molecule and nature of bands due to different vibrational modes have been discussed. The lattice vibrational frequencies changes have also been observed and analyzed.     

Study of the Raman Polarization Spectra of the Single Crystal Phillipsite

The Raman polarization spectra of a single crystal of natural phillipsite in the wave number region 50–4000 cm⁻¹ were measured at laboratory temperature. The vibrations observed in analysis of the measured polarization spectra can basically be divided into 4 groups: a) H₂O-vibrations, b) Internal vibrations of bonds within the (Al, Si)O₄ tetrahedra, c) External vibrations between tetrahedra, d) Optical translational modes of the crystal lattice.     

Spectra and structure of organophosphorus compounds,XVIII: Infrared and Raman spectra of [(CH3)2PS]2, [(CD3)2PS]2, and [(CH3CH2)2PS]2 in the solid state

The infrared (80–3500 cm^–1) and Raman (10–3500 cm^–1) spectra of solid [(CH₃)₂PS]₂, [(CD₃)₂PS]₂, and [(CH₃CH₂)₂PS]₂ have been recorded. A complete vibrational assignment is proposed for tetramethyldiphosphine disulfide on the basis ofC _2h molecular symmetry. The observed intermolecular vibrations indicate little factor group effects, and no frequency differences were observed for the normal modes of the two different molecules which exist in the crystal as reported from the x-ray study. Most of the observed bands in the spectrum of tetraethyldiphosphine disulfide have been assigned. At least two of the three optical librational modes were observed in the Raman effect.     

Identification of crystal symmetry in Kramers and non‐Kramers ions by optical absorption: Divalent copper and nickel ions in diamagnetic lattices

The optical absorption spectra of Ni(II) doped hexaimidazole zinc(II) dichloride tetrahydrate (HZDT) and Cu(II) doped magnesium potassium phosphate hexahydrate (MPPH) have been studied at room temperature. Ni(II)/HZDT spectrum consists of three strong and one weak band. The calculated value of Dq is 1051 cm^‐1 and the interelectron repulsion parameters B and C are 854 and 3626 cm^‐1 respectively. The correlation of optical work with EPR has yielded the spin‐orbit interaction parameters λ and ξ as –225 and –450 cm^‐1 respectively. The symmetry around the Ni(II) ion is distorted octahedral, as suggested by EPR results. The estimated percentage covalency of the nickel‐nitrogen bond is around 30%. The optical absorption studies of Cu(II)/MPPH show three bands, which are identified as ²B_1g → ²A_1g, ²B_1g → ²B_2g and ²B_1g → ²E_g transitions. The octahedral field parameter Dq and the tetragonal field parameters have been evaluated from the observed adsorption bands. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Vibrational Properties of LiGaO2 (I). Experimental Results

Infrared reflectivity spectra of LiGaO₂ are measured at room temperature in the wave-number range from 200 to 4000 cm¹ for the polarization directions E ∥ a and E ∥ c. The parameters of 10 B₁ modes and 4 A₁ modes are determined by a dispersion analysis of the spectra. The results obtained are compared with previous Raman scattering measurements.     

Lattice Vibrations and Interatomic Forces in LiInS2

Infrared reflectivity spectra of LiInS₂ are measured at room temperature in the wave-number range from 180 to 4000 cm⁻¹. The parameters of four optical modes are determined by a dispersion analysis of the spectra. From the interatomic force constants determined from the sphalerite-like modes in the lattice vibration spectrum it follows that the Li–S bond is considerably weaker than the In S bond.     

Infrared optical properties of Cu1−xLixSe2 thin films

Infrared absorption spectra of Cu_1−xLi_xInSe₂ thin films are measured at room temperature in the wavenumber range from 100 to 600 cm⁻¹. The spectra exhibit two absorption bands in the wavenumber ranges 200–210 cm⁻¹ and 330–355 cm⁻¹ which are ascribed to vibrational modes due to In Se and Li Se vibrations, respectively. The influence of the phase transition from the chalcopyrite structure to the β-NaFeO₂ structure in the composition range x = 0.5–0.6 on the vibrational characteristics is established and discussed.     

Optical Absorption Spectrum of Cu2+ Ions in Lithium Sodium Potassium Sulphate Single Crystal

Single crystals of Copper-doped Lithium sodium potassium sulphate were grown at room temperature. The optical absorption spectra were recorded at room and liquid-nitrogen temperatures. The observed absorption bands have been attributed to an ion of Cu²⁺ in tetragonal symmetry with ²B₁ as the ground state. A successful interpretation of all the observed bands have been made by taking into consideration spin-orbit coupling associated with a tetragonal field. The crystal field parameters derived are D_q = 1045 cm⁻¹, Ds = 1352 cm⁻¹ and Dt = 457 cm⁻¹.     

Infrared optical properties of (CuGe2P3)1−x(6 Ge)x solid solutions

Infrared reflectivity spectra of (CuGe₂P₃)_1−x(6 Ge)_x mixed crystals with compositions in the range x = 0.07–0.33 are measured at room temperature in the wavenumber range from 180 to 4000 cm⁻¹. An analysis of the spectra reveals six vibrational modes. The composition dependence of the mode frequencies and of the free carrier concentration and mobility is given and compared with infrared optical data for CuGe₂P₃.     

Infrared and Raman spectra of potassium pentacyanonitrosylmanganate(I) dihydrate: K3[Mn(CN)5NO]· 2H2O

The infrared spectra of polycrystalline K₃[Mn(CN)₅NO]·2H₂O at different degrees of deuteration were recorded between 4000 and 200 cm^–1, both at room and low temperature. The room-temperature Raman spectrum of the isotopically normal powder was also obtained. The observed bands were assigned to the internal vibrational modes of the [Mn(CN)₅NO]^–3 ion and to the internal and librational modes of water of hydration. In accordance with X-ray diffraction studies, the spectra showed the existence of two crystallographically distinct types of water molecules located in different sets of sites ofC ₁ symmetry.A communication on this subject was presented at the XVI Latin American Chemistry Congress, Rio de Janeiro, Brazil, October 14–20, 1984.     

Low frequency Raman scattering in chalcogenide glasses

Low frequency Raman spectra of chalcogenide glasses are analyzed in terms of matrix element effects and modes of a layered structure. The spectra of GeSe₂ at low temperature shows no peaks which can be assigned to layer modes. The reduced spectra indicates that the density of states exhibits nearly ω² dependence for ω < 60 cm^?1, and the coupling constant approaches ω² dependence at frequencies less than 20 cm^?1.     

Smooth titania nanotubes: Self-organization and stabilization of anatase phase

We present transmission electron microscopy and Raman scattering measurements showing that niobium inhibits the processes of nucleation and growth of anatase crystallites in the initial amorphous titania nanotubes and thus shifts the temperature of the complete amorphous-to-anatase phase transition to higher values up to 550 °C. Niobium dopants stabilize the anatase phase in titania nanotubes up to 650 °C. The size of anatase crystallites can reach 30–50 nm. Excess niobium atoms which are pulled off from the volume of anatase crystallite form polymeric or monomeric Ti–O–NbO groups at the interface area. Slight shift and broadening of E_g (144 cm^?1), A_1g (515 cm^?1) and E_g (630 cm^?1) modes in Raman spectra can be explained by niobium insertion into the anatase structure.     

Crystal data and some physical properties of Tl2InGaTe4 crystals

The room temperature crystal data, Debye temperature, dark and photoelectrical properties of the Bridgman method grown Tl₂InGaTe₄ crystals are reported for the first time. The X‐ray diffraction technique has revealed that Tl₂InGaTe₄ is a single phase crystal of tetragonal body‐centered structure belonging to the space group. A Debye temperature of 124 K is calculated from the results of the X‐ray data. The current‐voltage measurements have shown the existence of the switching property of the crystals at a critical voltage of 80 V. The dark electrical resistivity and Hall effect measurements indicated the n ‐type conduction with an electrical resistivity, electron density and Hall mobility of 2.49×10³ Ω cm, 4.76×10¹² cm^–3 and 527 cm²V^–1s^–1, respectively. The photosensitivity measurements on the crystal revealed that, the variation of photocurrent with illumination intensity is linear, indicating the domination of monomolecular recombination at room temperature. Moreover, the spectral distribution of the photocurrent allowed the determination of the energy band gap of the crystal studied as 0.88 eV. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Preparation and Properties of a Novel Nonlinear Optical Crystal: MnHg(SCN)4(H2O)2.2(C3H6CONCH3)

In this article, diaquatetrakis (thiocyanato) manganese(II) mercury(II)‐N‐methyl‐2‐pyrrolidone, MnHg(SCN)₄(H2O)₂.2(C₃H₆CONCH₃), (abbreviated as MMTWMP), a new organometallic nonlinear optical crystal material is reported. The structure, optical and thermal characterizations were determined by elemental analysis, infrared and Raman spectroscopy, X‐ray powder diffraction, thermogravimetric analysis, differential scanning calorimetry, special heat, SHG measurements and UV/Vis/NIR optical transmission spectra. It belongs to the tetragonal crystallographic system, with cell parameters: a = 12.1294, c = 8.2238Å, V = 1211.27ų. Single crystals with dimensions up to 8 × 7 × 5 mm³ have been obtained. The morphology of the crystals was indexed. The MMTWMP crystal exhibits good physicochemical stability at normal temperature and pressure. Its UV transparency cutoff is 360 nm, which is shifted to the violet by 13 nm, as compared with MnHg(SCN)₄ (MMTC); the optical transmission is 44.82% at 404 nm, which is by 17.46% higher than that of MMTC.     

Infrared and Raman spectroscopy of mullite‐type Bi2Ga4O9

Mullite‐type Bi₂Ga₄O₉ single‐crystals were grown by the top‐seeded solution growth (TSSG) method and investigated by vibrational spectroscopy. Polarised IR specular reflectance and attenuated total reflectance (ATR) spectra, as well as polarised micro‐Raman spectra were acquired at room temperature. Powder IR spectra of sol‐gel‐derived samples were also recorded. Using model calculations and comparison to other mullite‐type compounds, bands at ∼ 850 – 400 cm^‐1 could be assigned to stretching and bending vibrations of the structural GaO₄ and GaO₆ units. Low‐energetic modes were attributed to motions involving Bi atoms. The IR spectra of Bi₂Ga₄O₉ display close similarities to those of the mullite‐type alkali gallates (9Ga₂O₃ · Rb₂O), while their differences to those of mullite sensu stricto (3Al₂O₃ · 2SiO₂ and 2Al₂O₃ · SiO₂, repectively) are assigned to Si‐O stretching vibrations of the corresponding tetrahedral units. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Raman Study of Lattice Vibration Modes and Growth Mechanism of KDP Single Crystals

The space group theoretical analyses and assignment of the lattice modes of the KDP crystal have been made, and the Raman spectra of their growth solution have been observed in different growth regions. The attention is focused on the analysis of the 912 cm^‐1 band arising from the H₂PO₄^‐ anions in the interface between the KDP crystals and their growth solution. This has been assigned to the asymmetrical stretching mode of the deformation P(OH)₂ . From these results, the growth units of KDP crystal has been concluded to be the dimers of H₂PO₄^‐ anions. We consider that the result presented here is an important step towards the development of more complete crystal growth theories.     

Raman scattering study on Ga1–x Mnx As prepared by Mn ions implantation,deposition and post‐annealing

Raman scattering measurements have been performed in Ga_1–x Mn_x As crystals prepared by Mn ions implantation, deposition, and post‐annealing. The Raman spectrum measured from the implanted surface of the sample shows some weak phonon modes in addition to GaAs‐like phonon modes, where the GaAs‐like LO and TO phonons are found to be shifted by approximately 4 and 2 cm^‐1, respectively, in the lower frequency direction compared to those observed from the unimplanted surface of the sample. The weak vibrational modes observed are assigned to hausmannite Mn₃O₄ like. The coupled LO‐phonon plasmon mode (CLOPM), and defects and As related vibrational modes caused by Mn ions implantation, deposition, and post‐annealing are also observed. The compositional dependence of GaAs‐like LO phonon frequency is developed for strained and unstrained conditions and then using the observed LO_GaAs peak, the Mn composition is evaluated to be 0.034. Furthermore, by analyzing the intensity of CLOPM and unscreened LO_GaAs phonon mode, the hole density is evaluated to be 1.84×10¹⁸ cm^‐3. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Crystal growth,structure and spectroscopic studies of a novel organic single crystal: L‐lysine p‐nitrophenolate monohydrate (LLNP)

A novel organic crystal, L‐lysine p‐nitrophenolate monohydrate (LLNP) has been grown successfully from an aqueous solution by the slow cooling method. Transparent single crystal of dimensions 22 × 12 × 12 mm³ has been obtained. The single crystal X‐ray diffraction has shown that LLNP belongs to the orthorhombic crystallographic system with space group P2₁2₁2₁. The functional groups and vibrational frequencies of the crystal have been identified using IR and Raman spectra. The proton and carbon configurations have been confirmed through ¹H‐NMR and ¹³C‐NMR spectra analyses. The UV‐Vis‐NIR transmittance spectrum for LLNP crystal has been recorded in the range from 200 to 2500 nm. The second harmonic generation (SHG) intensity of LLNP has been measured by powder SHG method and found to be as 4.2 times as that of KDP. The thermal properties have been studied by using thermo gravimetric (TG) and differential thermal analysis (DTA).     

Growth and characterization of thiourea mixed cadmium – lead chloride – a nonlinear optical crystal

Nonlinear optical (NLO) crystal of thiourea mixed cadmium–lead chloride dihydrate Cd[(PbCl₃)(NH₂CSNH₂)].2H₂O (TCCPC) have been grown in solution by slow evaporation technique at room temperature. The powder X‐ray diffraction pattern has been recorded and indexed. The UV‐Vis‐NIR transmittance and FT‐IR spectrum have been recorded in the range 200‐1090 nm and 400‐4000 cm^‐1, respectively. The lower cut‐off wavelength is 280 nm in the UV region, which is higher than that of pure Cd(PbCl₃) (CCPC) crystal. The presence of functional groups has been confirmed by FT‐IR analysis. The TCCPC crystal was characterized by SEM and EDX spectrum. The second harmonic generation (SHG) of the thiourea mixed cadmium–lead chloride (TCCPC) crystal is demonstrated by the Kurtz Perry method using Nd:YAG laser and the results confirm that the grown crystal is roughly three times more efficient than ADP. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)