Showing papers in "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy in 1963"

TL;DR: In this paper, the infrared spectra of fully extended n-paraffin molecules from C 3 H 8 through n-C 19 H 40 were reported together with complete vibrational assignments based on frequency-phase curves and normal co-ordinate calculations.

TL;DR: The experimental and theoretical factors influencing the measurement of the profiles and intensities of infrared absorption bands for materials in condensed states are reviewed in this paper, where the effects of the spectral slit function and the time constants of the spectrophotometer recording system on the band shape are discussed, and the methods available for the experimental evaluation of these quantities are described.

TL;DR: In this article, the infra-red and Raman spectra of 2-, 3- and 4-chloro and bromopyridines have been measured and complete assignments of the frequencies are proposed for these and the corresponding methyl pyridine, and for the Raman displacements of 2- and 3-fluoropyridine.

TL;DR: In this paper, N-Salicylidene-2-aminopropane and its aryl substituted derivatives were synthesized as well as the dimeric and polymeric compounds of similar structure; the metal chelates of those ligands were also obtained.

TL;DR: In this article, the infra-red spectra of various types of complexes of pyridine Noxide with cobalt(II), nickel, zinc, aluminum, chromium, iron, and tin were measured in the 3-15 μ region.

TL;DR: In this paper, the effect of concentration on the fluorescence spectra of solutions of pyrene and its derivatives was investigated, and the mechanism involved in this effect was discussed, as well as its mechanism.

TL;DR: In this article, the first of a series of papers to assign C-chlorino and C-bromine vibrational frequencies in substituted halogenobenzenes, and to show how these vibrations are modified by the nature and orientation of the substituent groups.

TL;DR: In this paper, the transition between excited torsional levels (0 → 1, 1 → 2, 2 → 3,...) have been measured in the infrared for several compounds and the observed frequencies provide the best test of the potential function for hindered internal rotation which has yet been made.

TL;DR: The thermodynamic data for the 1:1 association of phenol with eight esters, three acid fluorides, sixteen ketones, fourteen aldehydes and fifteen ethers in carbon tetrachloride solution have been determined as discussed by the authors.

TL;DR: In this paper, a method for imposing any desired constraint on the force field obtained in a force constant refinement calculation is discussed, and the results of unconstrained calculations, and of three different constrained calculations, are reported.

TL;DR: In this article, the infra-red spectra of C 6 F 5 Cl, C 6F 5 Br and C 6 f 5 I and the Raman spectrum of these molecules are reported.

TL;DR: The Hybrid Orbital Force Field (HOF) model as mentioned in this paper reduces the number of independent force constants in the potential function of a polyatomic molecule by relating stretch-bend interaction constants to the corresponding diagonal stretching constants.

TL;DR: In this paper, the 60 Mc high-resolution nuclear magnetic resonance spectra of ten simple α-amino acids in alkaline and acidic medium have been analyzed and the relative signs of the geminal and vicinal coupling constants, the substituent effects on these two couplings and on the relative residence times of the rotational isomers as well as their dependence on the pH of the solution are discussed.

TL;DR: In this article, a modified Urey-Bradely force field was used to predict the planar vibrational frequencies and their assignment has been guided largely by this zero-order calculation.

TL;DR: In this article, the spectral properties of pyridine N-oxide and its metal complexes were investigated in the 2000-300 cm−1 region and the frequencies of the metal-ligand stretching, of the N-O stretching and of the CH out-of-plane bending vibrations were found to be closely correlated.

TL;DR: In this article, the absorption spectra in the ultra-violet and visible regions of the spectrum have been obtained of solutions in methanol and chloroform of N, N' -bis-( o -hydroxybenzylidene)ethylenediamine and their chelates with metal ions of different sizes.

TL;DR: In this paper, normal co-ordinate treatment has been made of each of these four molecules as a seven-body system, based on the results of these observations and treatment, discussions are given on the normal vibrations of glycine molecules.

TL;DR: A number of organosilicon compounds show characteristic bands in the 15-38 μ range as discussed by the authors, which arise from SiCl, SiBr and SiI stretching, SiOSi symmetrical stretching SiCHCH2 hydrogen deformation, ring vibrations in Si-aromatic compounds, SiOC bending SiH2 and SiH3 rocking, and other skeletal vibrations.

TL;DR: In this article, the vapour phase ultra-violet absorption spectra of indene, indole, coumarone and thionaphthene have been photographed on a Hilger El spectrograph.

TL;DR: In this article, the infrared and Raman spectra of SbCl5, PCl5 (PCl4+PCl6−) and TaCl5 have been investigated.

TL;DR: In this paper, the authors applied the method of isomorphic substitution to the infra-red spectra of silicates and germanates of the olivine type, and gave a fairly detailed assignment of, and given a description of, the properties of the spectra.

TL;DR: From the temperature effect on the carbonyl bands of dicobalt-octacarbonyl, it was concluded that in solution this compound consists of two isomers, one of which has no carbonyls bridges as mentioned in this paper.

TL;DR: In this article, an essentially complete assignment of the fundamental vibrations of pyridine was proposed based on the infrared and Raman spectra of γ-piooline-d 7.

TL;DR: In this paper, the bonding problems of some cobalt carbonyl compounds are discussed on the basis of their v 1 co frequency values, and the existence of two different structural forms in solution is suggested.

TL;DR: In this paper, the infrared absorption spectra of the hexacarbonyls of Cr, Mo, and W have been observed in the gaseous and solid states and 11 of the thirteen fundamental frequencies of each have been assigned.

TL;DR: The O-H out-of-plane deformation fundamental (γO-H) occurs in the frequency region 300-860 cm−1 in various ortho substituted phenols studied as discussed by the authors.

TL;DR: In this paper, it was shown that the low-frequency vibrations are not independent, but are more or less coupled with the vibrations of the spinel lattice as a whole, which is consistent with a normal structure (Si and Ge on the tetrahedral sites) of spinels Ni2SiO4 and X2GeO4.

TL;DR: In this paper, it was shown that an increase of 3° in the ∠CCC and ∠CCO is most likely to occur in the excited state of an acrolein.

TL;DR: The infrared spectrum of CF3CCCF3 has been extended to 60 cm−1 to locate two postulated fundamentals as mentioned in this paper, which is interpreted as evidence against Kopelman's suggestion.