Showing papers in "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy in 1965"

TL;DR: In this article, a 36 parameter valence force field useful for the vibrational analysis of paraffins has been derived from 308 observed vibrational frequencies of the following 17 molecules: propane, trans n-butane, Trans n-pentane, gauche n-Butane, gauge n-Pentane, iso- butane, neo-Pantane, 2-methylbutane and 2-dimethylbutane.

TL;DR: The infrared spectra of isotopic mixtures of carbon monoxide chemisorbed on silica-supported platinum show a complex pattern of intensity ratio and frequency changes as a function of surface coverage.

TL;DR: In this article, the absorption bands are relatively intense, and the frequencies may be correlated with the oxidation number, mass and coordination number of the central metal, and with the stereochemistry of the complex.

TL;DR: In this article, the position of the red band depends more on the refractive index than on the dielectric constant, and correlations were found between the half-width and the part of red shift that depends on dielectoric constant, between position of Soret and red bands, and between the Soret/red and Soret satellite absorptivity ratios.

TL;DR: In this article, a formula for reflectivities under conditions of attenuated total reflection (ATR ) is expanded to fourth power in attenuation index, κ from these expansions, absorption rules are derived for single and multiple ATR spectrometer cells Equations are given for all types of polarization.

TL;DR: In this paper, an assignment of fundamental frequencies, fitting conveniently all the available criteria, has been proposed to check this assignment, special use has been made of the complete isotopic rule.

TL;DR: In this paper, the central single bond tensor in conjugated molecules has been studied in the far infrared using the potential function 2V = 3Σn=1 Vn (1 - cos nα), and the quantity [V1 + 4V2 + 9V3] was evaluated for all eleven compounds.

TL;DR: The infrared spectra of a number of cis and trans palladium (II) complexes of the type PdL 2 Cl 2 have been recorded from 600 to 250 cm −1 as discussed by the authors.

TL;DR: In this paper, the effect of co-ordination on the fundamental vibrations of the ligand has been considered and the order of relative basic strengths has been derived from the CuN frequencies.

TL;DR: In this paper, a method for the calculation of a complete set of force constants from the vibrational frequencies and the geometry of a molecule without additional data by means of a digital computer is presented.

TL;DR: In this article, a new type of atomic spectral lamp was proposed to emit resonance lines some hundred times more intense than can be obtained from a conventional hollow-cathode discharge.

TL;DR: In this paper, the infrared spectra of methyl and ethylxanthato complexes of Pt(II, Pd(II), Pd, Ni, Ni and Co(III) have been observed over the region 200-4000 cm −1.

TL;DR: In this article, a normal co-ordinate treatment of the NO 3 ion is given and used to explore the effects of nitrato complex formation on infra-red spectra, and it is shown that while the splitting of a band at about 1400 cm −1 is a good criterion of complex formation, its magnitude is not suitable for deciding between unidentate and bidentate complexes.

TL;DR: In this article, the infra-red spectra of the complexes [MX 2,2RCN] have been studied in the 4000-265 cm −1 region, where the ligand and (MX) vibrations have been measured.

TL;DR: In this article, the Urey-Bradley-Simanouti force constants for the following phosphate species are reported: PO 4 3−, HPO 4 2−, H 2 PO 4 − and H 3 PO 4.

TL;DR: In this article, the infra-red spectra of the crystals of CH 3 COOH, CH 3 COOD, CD 3 CoOD, and CD 3COOD at 0° and at −180°C have been investigated in the 4000-400 cm −1 region.

TL;DR: In this paper, the infrared absorption spectra of crystalline (CH 3 ) 4 NCl, CH 3 )4 NBr and CH 3 ] 4 N + were measured at 25°C in the frequency range between 4000 and 37 cm −1.

TL;DR: In this article, the position of azo-group vibrations and some ring vibrations in the region from 1000 to 1600 cm −1 was assigned by studying the depolarization ratios of the Raman lines and by comparison with the infra-red spectra.

TL;DR: In this paper, the infrared spectra of C3H8, C3D8, (CH3)2CD2, (CD3) 2CH3 and C2H5CD3 were obtained using both prism and grating spectrometers.

TL;DR: In this paper, the infrared absorption spectra of some derivatives of xanthic dithiocarbamic and trithiocalarbonic acids were studied in the sodium chloride optics region and the bands assigned to group frequencies.

TL;DR: In this article, the infrared spectra of aniline complexes with halides of divalent platinum, palladium, copper, nickel, zinc, cadmium, cobalt and manganese are reported in the 4000-280 cm −1 region.

TL;DR: In this paper, the authors used potential energy distributions and Cartesian displacements to determine the characters of planar vibrations of chlorinated benzenes in the 1600-300 cm−1 region.

TL;DR: In this article, the n → π* absorption bands of acetone and of a number of substituted ketones have been measured in a variety of solvents, and the solvent shifts of the substituted ketone were compared with the corresponding shifts of Acetone.

TL;DR: In this article, the infrared spectrum of hexafluoroacetyl chloride and the Raman spectrum of the liquid have been studied and a complete vibrational assignment suggested, showing that the symmetry of the molecule is Cs, which implies that the two CF3 groups are staggered with respect to each other, presumably due to steric interaction.

TL;DR: In this paper, the preparation and vibrational spectra of 1,4-cyclohexadiene and 1, 4-cycloenadiene-d8 were described and a reasonably complete assiggment was made under the assumption of D2h symmetry.

TL;DR: In this article, it was shown that if a true P�C bond exists, it is characterized by an absorption band in the region 1180-1230 cm−1.

TL;DR: The spectra of 31 chromates, seven dichromates, and CrO 3 have been measured from 250 to 4000 cm −1 and from 13000 to 50000 cm − 1 as mentioned in this paper.

TL;DR: In this article, a complete assignment of the fundamental vibration frequencies of ethylene imine has been made based on vapor phase band contours, frequency shifts resulting from concentration changes, the Raman spectrum and polarizations, and analogies to ethylene oxide.

TL;DR: In this paper, the vibrational frequencies of two forms of crystalline syndiotactic polypropylene and some of its deuterated analogues were calculated using a modified valence force field derived from a series of saturated hydrocarbons.

TL;DR: In this paper, the far infrared vibrations of the hydrogen bond (OH ⋯ O-vibrations) of ten phenols have been assigned to the 187-98 cm−1 range.