Showing papers in "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy in 1981"

TL;DR: In this paper, the i.r. and Raman spectra of a series of chromium(III) complexes [M III 3 O(OOCR) 6 L 3 ]X· x H 2 O have been analyzed in detail.

TL;DR: In this article, the potential function to internal rotation of 1,2-difluoroethane was derived from the far i.r.Ar matrix i.i.d. gas spectrum.

TL;DR: In this article, the bond-stretching vibrations of H2O, NH3 and SO2 (also HDO and D2O) are treated computationally according to a model in which the bond oscillators are Morse oscillators, coupled only through a mass and bond-angle dependent kinetic energy term.

TL;DR: The Raman and ir spectra of the barium and strontium hydroxides and hydroxide hydrates are reported and structural and bonding features are discussed in this paper.

TL;DR: In this article, the normal modes of trirutiles AB2O6 have been discussed in relation to the potential energy distribution and to the vibrations of a free octahedron.

TL;DR: In this article, Ramaman data on M(II)(H 2 O) 6 SiF 6 (MNi, Fe, Mg, Zn) and M(2) 6 NiTiF 6 ·6 H 2 O is presented, showing that the phase transition in this salt has a different origin from that in the hexafluorosilicate salts.

TL;DR: The structure of the anhydrous compounds Be(OOCH) 2, Be(OOCMe) 2 and Zn(OCME) 2 are predicted to have tetrahedral coordination with the carboxylate ions acting as bidentate ligands as discussed by the authors.

TL;DR: In this article, a thermal effusive molecular beam was trapped in an argon matrix and the i.r. spectra of cis and trans methyl nitrite was studied by trapping the beam source temperature.

TL;DR: Intermolecular charge transfer spectra of p-tolylthiourea and iodine in very dilute solutions in carbontetrachloride and dichloromethane were studied spectrophotometrically in the u.v. region.

TL;DR: In this article, the divalent metal complexes of Be, Mn, Co, Ni, Cu, Zn, Pb, Hg and Ba with 1-phenyl-3-methyl-4-acetyl-pyrazolone-5 (HPMAP) have been synthesized for the first time.

TL;DR: In this article, the Raman spectra of thirteen sugars were examined in the wavelength range 200-1700 cm −1 and varied the phosphate buffered solution from pH 6.0 to 8.5 at constant ionic strength of 0.1 and HCl solutions from pH 0.8 to 5.0.

TL;DR: The vibrational assignment of compounds A2IIIB2IVO7 (A = La, Nd; B = Zr, Hf) belonging to the pyrochlore structure is proposed in this article.

TL;DR: In this article, the magnetic, electronic and vibrational properties of adenosine derivatives were considered in comparison with those of adenine complexes, and the ligand field symmetry is distorted tetrahedral in cobalt, zinc compounds and in CuLCl2.

TL;DR: In this paper, the gas phase vibrational spectrum of methyl nitrite has been recorded over the range 4000-300 cm −1, and all the fundamental modes of both the cis and trans conformers have been assigned.

TL;DR: A comparison of spectra recorded on hydrated, deuterated and anhydrous metal acetates enables the absorptions between 900 and 700 cm −1 and between 580 and 500 cm − 1 in hydrated salts to be assigned to librational modes of crystallization water as discussed by the authors.

TL;DR: In this paper, the Ramaman spectra of solid state lanthanide oxychlorides, LnOCl, where Ln  La, Pr, Nd, Sm, Eu, Gd, Dy, Ho and Er, have been measured in the 1000-40 cm −1 region and the observed fundamental wavenumbers have been assigned and discussed by referring to the results of the factor group analysis and the normal coordinate calculations based on a tetragonal space group D 7 4 h.

TL;DR: In this paper, the influence of various substituents X, Y (H, alkyl, perfluoroalkyl, alkenyl, aryl, alkynyl, amino, phosphyl, alkoxy, silyl, stannyl, plumbyl) on the magnitude of 1 J(CC) was studied.

TL;DR: Tunnelling studies of the vibrational spectra of formate and acetate ion adsorbed on plasma-grown aluminium and magnesium oxide surfaces showed that the CO 2 − symmetric stretch mode can be clearly distinguished from the CH modes in the same region of the spectra.

TL;DR: In this paper, the chemical shifts of the compounds ECXY are interpreted in terms of halogen-carbon π bonding and the coupling constant 1J(CF) increases in magnitude with increasing s-character of the carbon atom in compounds with E = O, S and Se.

TL;DR: In this paper, the i.r. spectra of gallates with perovskite structure and the Raman spectrum of NdGaO 3 were analyzed and the force field, calculated for the three compounds, is stronger than for homologous aluminates.

TL;DR: In this paper, a complete set of independent symmetry coordinates for fluoranthene was constructed and a tentative almost complete assignment for the experimental fundamentals was presented, which were used as an aid in the assignment of experimental fundamentals.

TL;DR: In this article, the spectral properties of the isotopic species 13 CH 3 ONO, CH 3 18 ONO and CH 3 O 15 NO, isolated in argon matrices, were used for derivation of 22 parameter harmonic valence force fields for both the cis and trans conformers.

TL;DR: In this paper, the vibrational spectra of (C 2 H 5 ) 4 NSbF 6 (I) at ambient temperature are compatible with cubic symmetry but there are signs that the symmetry of the crystal is lower than Fm 3 m -O 5 h, the space group predicted from X-ray powder diffraction methods.

TL;DR: In this paper, the adsorption of CO2 on aluminas and silica aluminants was investigated at elevated temperatures using i.r.t. techniques, and different kinds of chemisorbed CO2 species were found.

TL;DR: In this article, the Raman parameters of iodine and iodine bromide dissolved in various organic solvents have been studied in terms of dispersion forces, interaction between permanent dipoles and specific interactions between the Solvents and the solute and Marked differences are observed between the polar (IBr) and apolar (I2) molecules.

TL;DR: In this paper, the infrared spectrum of the Cs + BF − 4 ion pair showed a splitting due to cesium cation perturbation, with a splitting of nearly 200 cm −1.

TL;DR: The matrix isolation spectrum of the very reactive permanganyl fluoride (Mn16O3F, Mn16O218OF, Mn 16O18O2F and Mn18O3Fs) was measured by computer simulation of the ir band contour, measured at low temperatures.

TL;DR: The mass, vibrational, 1H and 31PNMR spectra of [(C6H5)2P]2NR (R = CH3, C6H4CH3) were measured and discussed as mentioned in this paper.

TL;DR: In this article, the SCl radical has been shown to be formed by photolysis of SCl 2 in the Ne matrix, and the spectroscopic constant ν( 32 S 35 Cl) = 574.2 cm −1 is compared with data of isoelectronic molecules.

TL;DR: In this article, Ramaman et al. reported the spectra of a range of gold complexes of the form LAuX3 (L = C6H5)3P, (C2H5)-3P and pyridine, lutidene and α-picoline; X = Cl− or Br−).