Showing papers in "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy in 1975"

TL;DR: In this paper, the infrared spectra of whewellite (calcium oxalate monohydrate), CaC 2 O 4 ·H 2 O and its deuterated analogue have been recorded (4000-300 cm −1 and an empirical assignment of the observed bands is given).

TL;DR: In this paper, the substituent effects (S values) of CX bonds on the frequencies of CH bonds in cis, trans or α positions are obtained either directly from the CH2CHX isolated frequencies (X = Cl, Br) or indirectly from those of the X3 and X2 species.

TL;DR: In this article, the functional dependence of the normal frequencies on the dihedral angles about the S and C S bonds was calculated and the correlation between the SS stretching frequency and the conformation about the C S bond was confirmed.

TL;DR: In this paper, a complete set of anharmonicity constants x ij is obtained and the general harmonic force field determined from frequencies, frequency shifts and new values of Coriolis coefficient ξ 3,5 and of centrifugal distortion coefficients.

TL;DR: In this paper, it was shown that the secondary structure of these bands cannot be due to an equilibrium between monomeric and higher species as previously assumed, and it was suggested that the origin of this band structure lies in the existence of clusters which persist even in dilute solutions.

TL;DR: In this paper, the preferential solvation of the Na+ ion was studied by determining the 23Na chemical shifts for sodium tetraphenylborate solutions in all possible binary solvent mixtures of nitromethane, acetonitrile, hexamethylphosphoramide, dimethylsulfoxide, pyridine and tetramethylurea.

TL;DR: An assignment of the experimental vibrational frequencies of 1,3-butadiene and its seven deuteroanalogues is given and the calculation of frequencies has been made as mentioned in this paper.

TL;DR: In this paper, the electron donor interactions of phenothiazine and chlorpromazine have been studied by employing electronic spectroscopy Equilibrium constants and enthalpies of formation of electron donor-acceptor complexes have been evaluated.

TL;DR: In this article, isolated CH stretching frequencies are obtained both for the methyl groups, each of which contains two weak out-of-plane and one strong in-plane CH bond, and for the olefinic hydrogens, although the latter are more susceptible to Fermi resonances with levels 2 v CC or v C ǫ + δ CH.

TL;DR: In this paper, the dependence of normal vibrations on ring size is investigated and non-linear relationships have been established between SS stretching frequencies and force constants, respectively, and SS bond distances.

TL;DR: In this paper, the principal fragmentation pathway in the mass spectrometer ion beam is shown to involve a splitting of HCN from the pyrimidine ring produced by loss of the 4 position carbon.

TL;DR: In this article, the harmonic force field is derived according to two methods: (i) the apex angle is fitted, and (ii) apex angle keeps its gas-phase value.

TL;DR: In this article, the origin of the multiple OH(D) bands in the region 1900-3000 cm−1 is discussed, and the polarised spectra of single crystals of the title compound and its O-deuterated analog are assigned.

TL;DR: In this paper, the authors measured the transition probability of the bands corresponding to the different stretching vibrationsO H, O H ⋯O, C  O, C ǫ O ⋮H, C H, Cǫ H, and C Ã Oǫ D in the vapour phase of HCOOH, DCOOH and CH 3 COOH in the corresponding isotopically substituted acid.

TL;DR: In this article, the rates of radiative internal energy dissipation have been calculated for toluene and cis -2-butene over the temperature range from 300 to 1500°K.

TL;DR: The infrared spectra of HOBA and OBA were measured as a function of temperature and a direct correlation was obtained between the phases and the type and extent of hydrogen bonding as discussed by the authors.

TL;DR: In this paper, the i.r. spectrum of crystalline nitrous oxide has been investigated and a large number of internal isotopic and combination bands have been assigned, and the intensity and profile of the two-phonon bands has been calculated using a mechanism of induced dipoles.

TL;DR: The structures of para -and meta -substituted benzeneseleninato acids complexes of zinc, cadmium and mercury have been investigated by i.r. spectroscopy as discussed by the authors.

TL;DR: In this article, the i.r. spectra of water present in sepiolite were used to identify on the hydrated sample two kinds of water molecules: (a) water molecules which have their two hydroxyl groups involved in hydrogen bonds.

TL;DR: A reassignment of the fundamentals of ethylene oxide-d4 has been made on the basis of a new study of its infrared spectrum as a gas and as a solid at −196°C as discussed by the authors.

TL;DR: In this paper, the observed resonant Raman scattering is discussed in terms of simple models involving both adiabatic and non-adiabatic approximations for the resonant states.

TL;DR: In this article, the Raman spectra of a number of compounds containing O 2 + and NO + cations and various M F 6 −, M F 7 − and M 2 F 11 − anions are reported.

TL;DR: In this article, the infrared and Raman spectra of crystalline H 2 SO 4 and D 2 SO4 have been investigated at various temperatures and the properties of these compounds were compared.

TL;DR: In this article, Raman and ir spectra of the low temperature (orthorhombic) and high temperature (cubic) solid phases of KBF/sub 4/, RbBF/ sub 4/, and CsBF/sub4/ were measured.

TL;DR: In this paper, isolated CH frequencies have been obtained for all CH bonds in the compounds CH3CH2X and (CH3)2CHX, where X = F, Cl, Br, I, from i.r. spectra of appropriate partially deuterated species.

TL;DR: The i.r. spectra from 70 to 3300 cm −1, and the Raman spectra with polarization data were reported for C 6 F 5 X (X = H, Cl, Br, CH 3 ) over the temperature range 273·15-1500 K.

TL;DR: In this paper, the vibrational spectra of the 1,5-anhydropentitols have been investigated based on normal coordinate analyses in which a 54-parameter force field is refined to give the best fit to the spectra.

TL;DR: In this article, the results of spectroscopic studies of pure gaseous and liquid perchloric acid as well as Raman spectra of the liquid acid have been re-examined.

TL;DR: In this article, a vibrational assignment is proposed for cyclopentadiene and three of its deuterated derivatives, supported by a normal coordinate analysis based on a valence force field.

TL;DR: In this paper, the vibrational spectrum of CF 3 O − closely resembles that of isoelectronic X F 3 O species, the X O bond possesses almost double bond character whereas the three X F bonds are highly polar implying very strong contributions from resonance structures.