IR absorption spectrum of thiohydantoin

The IR absorption spectrum of thiohydantoin is found in the range 400–3500 cam^–1, and the normal-mode frequencies are calculated on the basis of a model. The IR spectrum is interpreted on the basis of the theoretical results, the experimental x-ray spectrum, and the microwave dielectric constants.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii Fizika, No. 1, pp. 29–33, January, 1970.     

Analysis of diffuse reflection and absorption spectra of ZnO in the near-IR region

It is established that the absorption of ZnO in the near-IR region of the spectrum is determined by free electrons and chemisorbed gases. The free-electron absorption spectrum is approximated by a power function with an exponent which varies within the range 2–3, depending on the defectiveness of the specimen. Chemisorbed gases yield absorption bands at 1.37; 1.18; 1.08–1.03; 0.95–0.93; 0.85; 0.75–0.73; and 0.65–0.63 eV. The bands at 1.18 and 0.85 eV are due to chemisorbed oxygen in the states O^– and O₂ ^–, while the other bands can be attributed mainly to atomic hydrogen and OH-groups.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 86–90, July, 1988.We thank E. V. Komarov for his help in conducting the experiments.     

Calculation and study of the ir absorption spectrum of 2,4-thiazolidinedione

The IR absorption spectrum is found for 2,4-thiazolidinedione in the range 400–3500 cm^–1, and the normal modes are calculated on the basis of a model for this molecule. The spectrum is interpreted.Translated from Izvestiya VUZ. Fizika, No. 12, pp. 64–68, December, 1969.     

IR absorption spectrum of hydrogen xanthane

The normal vibration frequencies of hydrogen xanthane are calculated on the basis of a mechanical model. The IR absorption spectrum was measured in the range 400–3600 cm^–1 for tablets of this substance with KBr and in vaseline and fluorinated oil. The spectrum is interpreted. The effects of the change in the structure of the cyclopentane molecule on the vibration spectrum and symmetry of the heterosubstituted molecules are discussed.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii Fizika, No. 11, pp. 50–54, November, 1970.     

The IR absorption spectrum of 2 - aminothiazolid - 4 - one

A mechanical model has been used to calculate the frequencies in the vibrational spectrum of the imine and amine tautomeric structures for this compound; the IR spectrum for the crystalline state has been deduced for the range 80–3500 cm^–1, and a discussion is given for the effect of the tautomeric prototropic forms on the vibrational spectrum.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii Fizika, No. 9, pp. 76–82, September, 1971.     

Monte Carlo simulation of spin-aligned atomic hydrogen

The density dependent ground-state properties of spin-aligned atomic hydrogen are studied using the Monte Carlo technique for 32 and 128 atoms in a cube with periodic boundary conditions. The one-particle density matrix, the two-body correlation function, the structure and pairing function have been evaluated and are compared to other recent work. The total number of particles in the condensate is largest at a density 6·10^–3 Å^–3 and amounts to ⁰=2.03·10^–3Å^–3. In addition, the elementary excitation spectrum is discussed in the framework of the Brueckner-Sawada theory. The correct initial slope of the spectrum is obtained from variational results on the structure function. From these results one may tentatively conclude that the roton like part of the spectrum disappears at densities less than 10^–2 Å^–3.     

The LIF Excitation Spectrum of Jet-Cooled 2,6-Dicyano-3, 5-Dimethylaniline

The laser-induced fluorescence (LIF) excitation spectrum of jet-cooled 2, 6-dicyano-3,5-dimethylaniline (DCDMA) has been measured in the spectral range of 29,750–32,250cm^–1. The band origin at 29,860.8 cm^–1 and as many as 250 vibrational bands have been identified in the excitation spectrum. The analysis of the excitation spectrum of DCDMA gives more than 28 vibrational modes involving aromatic ring oscillations and oscillations related to the substituent groups. DCDMA is nonplanar in the ground state, with the NH₂ plane at about 9° with respect to the molecular plane (RHF/6-31G*). The singlet excited molecule is planar (CIS/6-31G*). Both CIS/6-31G* and CASPT2 calculations predict that the lowest excited state of DCDMA involves a dominant HOMO-LUMO excited configuration. The characteristic feature of the excitation spectrum of DCDMA is the presence of progressions in the low-frequency mode, 112 cm^–1. The calculations suggest that this mode and some other active modes involve motions of the amino group and strongly interacting adjacent cyano substituents.     

Electronic absorption in silicate mineral of copper

The electronic absorption spectrum of chrysocolla, a silicate mineral of copper, has been studied at room and liquid air temperatures. The observed bands were satisfactorily explained as belonging to Cu²⁺ ion subjected to tetragonal and spin-orbit fields. A good fit between the theoretical and observed band positions was obtained for the following crystal field parameters:Dq=–1400 cm^–1 Ds=–3000 cm^–1 Dt=–800 cm^–1 =–800 cm^–1     

Spectral Properties of Single Crystals of Synthetic Diamond

The half-width of the spectrum of Raman scattering (RS) of the first order of a diamond single crystal grown in a nickel-free system containing nitrogen getters is identical to all growth sectors (1.69 ± 0.02 cm^–1). The sectorial inhomogeneity is not reflected in the transmission spectra and birefringence of this crystal. The nitrogen concentration is 4·10¹⁷ cm^–3. For different growth sectors of the diamond crystal grown in the Ni–Fe–C system, the half-width of the Raman line varies from 1.74 to 2.08 cm^–1, differences in the transmission spectra and birefringence are observed, and photoluminescence is revealed. The concentration of nitrogen in the growth sectors {001} is 1.6·10¹⁹ cm^–3, the content of nickel is estimated to be at a level of 10¹⁹ cm^–3, and the content of nitrogen in the {¯111} sectors is 4·10¹⁹ cm^–3.     

Tunneling energy levels of an off-center impurity of the hydroxyl ion in NaCl crystal

Fine structures of the vibrational spectrum of OH^– in NaCl have been investigated by their dependence on the OH^– concentration, temperature and uniaxial stress. The absorption bands of A and C at 3651. 2 and 3655.2 cm-1 are ascribed to the tunneling motion of the off-center impurity of OH^–. The stress splitting factor of the tunneling levels has been estimated to be B(S11–S12)=0.96±0.10 cm-1/10⁸ dyn cm-2 in the ground state and it is about 1.4 times larger in the vibrational excited state.     

Temperature anomalies in the dispersion and absorption of sound near phase transition points at low temperatures

We examined the attenuation and dispersion of sound during phase transitions with an overdamped soft mode at low temperatures. The obtained temperature and frequency dependences differ from results known at the high-temperature asymptote. The temperature anomalies are sharper. At low frequencies, the attenuation behaves like (T – T_c)^–5/2 for a critical phonon spectrum isotropic in k, and like (T–T_c)^–2 for uniaxial ferroelectrics. The presence of a temperature anomaly is characteristic also for high-frequency attenuation, behaving like (T–T_c)^–1/2 and ln(T–T_c)., respectively. We discuss briefly the results obtained from an experimental test.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 1, pp. 70–74, January, 1989.     

Optical studies on free-standing polypyrrole films by the photopyroelectric method

Optical spectra of free-standing polypyrrole films were investigated by a novel PhotoPyroElectric (PPE) method. The reflection and absorption spectra in the range 2000–25000 cm^–1 of TsO^–- and ClO ₄ ^su– -doped polypyrrole films were obtained with an experimental setup comprising two pyroelectric sensors. The absorption bands due to electronic transitions to the bonding and antibonding bipolaronic levels appear at 11 000 and 21 500 cm^–1, respectively. Some relevant details in the polypyrrole spectrum in the 2000–5000 cm^–1 range were observed. The absorption band located at 3400 cm^–1 is characteristic for NH stretching vibration. The bands in the 2300–2500 cm^–1 range are ascribed to the vibration of N⁺H groups containing positively charged nitrogen. The PPE spectra also reveal changes of the electronic and vibrational absorption bands after polymer reduction and HCl treatment.     

Soft X-ray emission of continua from laser produced plasmas

Plasmas produced irradiating plane targets of low Z elements with moderate energy (3–10 J) lasers emit considerable amounts of free-free and free-bound continua in the soft X-ray region (10–100 Å) of the spectrum. With intensity calibrated grazing incidence spectrographs an intensity of the order of 10⁸ W sr^–1 Å^–1 cm^–2 emitted by the densest portion of the plasma inside the crater formed at the interaction was determined. This is in good agreement with theoretical predictions for a plasma of predetermined parameters. In case of high Z elements the continuum emitted has a very smooth wavelength dependence.     

Mass spectrum of the strange dibaryons

We investigate the mass spectrum and the density of levels of the strange dibaryons. It is shown that the density of six-quark levels is large and can reach 1/ 20 MeV^–1 in the energy range 2.1–2.7 GeV.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 5, pp. 33–37, May, 1986.     

The UV absorption spectrum of the phenyl radical isolated in solid argon

Phenyl radicals have been generated by photodecomposition of nitrosobenzene isolated in solid argon at 12 K. In this medium the origin of the first UV absorption band of nitrosobenzene corresponding to theS ₀ S ₂ transition is found at 30260 cm^–1. Excitation with an excess energy of 2200 cm^–1 results in very efficient photodissociation. The fragments NO and phenyl are stable for many hours. Annealing of the sample above 35 K led to partial recombination and recovery of the absorption spectrum of nitrosobenzene. The UV spectrum of the phenyl radical was obtained in the wavenumber range 25000–45000 cm^–1, apparently without contamination by other species. It shows sharp lines at 25220, 33880, and 34820 cm^–1 and two broader maxima at 38360 and 41060 cm^–1. Of these only the line at 34820 cm^–1 had been assigned to the phenyl radical in earlier work. These data are compared to recent molecular orbital calculations.Dedicated to Prof. F. P. Schäfer on the occasion of his 65th birthday.     

Blue Photoluminescence of Oxidized Films of Porous Silicon

It is found that the films of n ⁺-type porous silicon of low (10–50%) porosity exhibit photoluminescence in the region 400–500 nm after a 5-month storage in an air atmosphere. The spectrum of blue photoluminescence of the least porous but strongly oxidized films has maxima at 417, 435, and 465 nm. The same spectrum structure manifests itself upon the introduction of an Er³⁺- and Yb³⁺-containing complex. The mechanisms of blue photoluminesence are discussed.     

Infrared spectra of catalysts and adsorbed molecules

The infrared absorption spectra of water adsorbed on Al₂O₃ and NiO-Al₂O₃ catalysts have been studied in the range 4000–1200 cm^–1. For all the catalysts, broad bands are observed at 3400 and 1640 cm^–1, characteristic of the stretching and bending vibrations of the OH groups in liquid water. The bands observed in the spectrum of alumina prepared from suspension in isopropyl alcohol are produced by water molecules and isopropyl alcohol molecules absorbed on the catalyst surface. The influence of treatment with heavy water and thermal treatment on the position of the infrared absorption bands in the spectrum of alumina is discussed.