Showing papers in "Journal of Molecular Spectroscopy in 1966"

TL;DR: In this paper, the authors derived selection rules and matrix elements for Coriolis interactions between vibrational levels due to rotation about (x, y) axes in symmetric top molecules.

TL;DR: In this article, a theoretical basis is presented for a computer program which has been written to calculate the internal rotation splittings in the microwave spectra of molecules possessing a hindered internal symmetric top.

TL;DR: In this paper, a three parameter double-minimum potential function is expressed in convenient form for general application, and the energy levels and wave functions of this potential have been calculated for 360 different sets of the parameters.

TL;DR: In this article, it was shown that the ω(NH 2 ) vibration is strongly anharmonic in the ground state, having the small-large alternation of quanta characteristic of a vibration occurring in a double-minimum potential.

TL;DR: In this paper, the exact Hamiltonian operator for nuclei and electrons is considered for diatomic molecules, and an accurate linear, separable effective Schrodinger equation for nuclear motion in 1 Σ state molecules is derived.

TL;DR: The local field correction appropriate for an inelastic scattering process is discussed in this paper, together with its consequences for the previously assumed magnitude of intermolecular interactions in liquids, and absolute Raman cross sections for several molecules in the liquid have been calculated from relative intensities and compared with the absolute values measured by several groups of investigators.

TL;DR: In this article, the molecular dipole moments of normal and deuterated methyl fluoride and methyl cyanide have been obtained as follows: for CH3F, μ = 1.8572 ± 0.0010 D; for CD3CN, MC = 3.913 ± 0.002 D; MC = 4.64 ± 0., DJK = 110.2± 0.004

TL;DR: In this paper, the frequency shifts of pyridine, pyrazine, pyrimidine, and pyridazine have been studied in several hydrogen donor solvents, H2O, D2O and CH3OH, C2H5OH, and CHCl3.

TL;DR: In this paper, a priori calculation of the allowed and forbidden intensities of a 1-frequency banded absorption of phenol was performed using the Herzberg-Teller theory with the inclusion of higher terms.

TL;DR: In this article, the Coriolis coupling constants and the available isotope shifts of frequencies for CF 4 and SiF 4 were calculated from the observed frequencies and the covariance coefficients.

TL;DR: In this paper, the authors showed that the temperature dependence of fluorescence of 9- or 9, or 10-substituted anthracenes in liquid solid matrices increase with decreasing temperature, while the initial absorbance of the triplet-triplet absorption shows a converse temperature dependence, and suggested that the activated intersystem crossing is the result of higher triplet state or states lying above the lowest excited singlet state, participating in the radiationless transition.

TL;DR: In this paper, the Fermi resonance between ν 1 and 2 ν 2 vibrational levels was analyzed with consideration for the frequency of mixing between the two states and Quadratic force field was determined from the inertia defects.

TL;DR: In this article, the spectrum of CO2 was measured at 2.8 microns using an echelle grating-prism spectrometer, with an accuracy of ± 0.005 cm−1 for individual lines.

TL;DR: In this paper, absorption spectra and fluorescence spectra excited by the HeNe laser line at 633 mμ are reported for H 2 Pc, MgPc, and ZnPc in the vapor.

TL;DR: In this paper, an investigation of pressure perturbations of the fundamental rotation-vibration band of hydrogen has been carried out, where the electric field induced dipole spectrum and the stimulated Raman spectrum of hydrogen were used to measure spectral line frequencies at gas densities extending up to 280 amagat.

TL;DR: The quadrupole hyperfine interaction energies in rotational spectra have been calculated through exact diagonalization of the total Hamiltonian matrix composed of the rotational and the quadrupoles interaction part.

TL;DR: In this article, the authors measured the self-broadened halfwidths and the line strengths of over 70 lines of the 5.3μ NO fundamental band by using a curve of growth technique.

TL;DR: In this paper, the microwave spectra of five isotopic species of dimethyl selenide are reported and the fine structure in the ground-state rotational spectrum of all five species has been resolved and analyzed.

TL;DR: In this article, the first overtones of some OH and NH stretching vibrations affected by strong hydrogen bonding were measured and it was shown that hydrogen bonding has a profound effect on anharmonicity.

TL;DR: The absorption spectrum of four different NO isotopes (N 14 O 16, N 15 O 16, N 14 O 18 ) was photographed with a 105-meter vacuum spectrograph down beyond the first ionization limit of the molecule as mentioned in this paper.

TL;DR: The absorption spectra of the three cyanogen halides ClCN, BrCN, and ICN have been examined under high resolution down to 1250 A as mentioned in this paper, showing that the three molecules have basically similar structure, and can be analyzed as follows: weak continuous absorption in the 2600-1800 A region (the A system) resulting from an A1Π ← X1Σ+ transition, the upper state being formed by a π → σ ∗ electron promotion localized on the halogen atom.

TL;DR: In this article, the magnitude and signs of the long-range proton spin coupling constant through four sigma bonds have been determined in substituted tetrachlorobicyclo[2,2,1] heptanes, whose structural framework possesses sufficiently fixed angular parameters.

TL;DR: In this paper, the absorption spectrum of cyanoacetylene in the gas phase between 2600 A and 2300 A has been measured and analyzed and the main features of the spectrum can be explained on the basis of an electronic transition from the linear ground state with 1 Σ + symmetry to a nonlinear, planar, excited state with a 1 A * symmetry under the C 8 point group.

TL;DR: In this paper, the r-centroid approximation as a method of analyzing intensity data in diatomic molecules is discussed, and it is shown that one cannot always expect all bands to fall on a single curve of R( r ) vs r.

TL;DR: In this article, the rotation-vibration energy levels of the doubly degenerate vibrational state ν2(e) of tetrahedral XY4 molecules have been computed.

TL;DR: In this article, the emission spectrum from a high frequency discharge through chlorine vapor has been reinvestigated under high resolution Natural chlorine and the isotope 35Cl2 were used Rotational analyses of thirty-eight bands attributed to the 35Cl 2+ molecule-ion and four of the isotopic molecule (35Cl37Cl)+ have been carried out The assignment of the emitter as Cl2+ has been confirmed The structure of all bands is consistent with 2 Π i → 2 ǫ i .

TL;DR: The first singlet-singlet band system of benzene, naphthalene, anthracene, and phenanthrene, was examined at 83°K in solid glasses containing 7% of CCl 3 F, CCl 4, or C 2 F 4 Br 2.

TL;DR: The microwave spectra of 2-D-, 2-13C-, and 3-15N-1,3,4-thiadiazole, C2H2N2S, were assigned and combined with earlier measurements to give a substitution structure of 1, 3, 4th, 5th, 6th, and 7th thiadiadiazoles.

TL;DR: In this article, the infrared spectrum of C13H4 was obtained over the region 2870-3130 cm−1 at a resolution of about 0.3cm−1 and was compared with the spectrum of the C12H4.

TL;DR: In this article, three rotational transitions of water have been observed by coherent source techniques in the millimeter region, and phase-locking methods have been used to measure the Stark effect of H 2 O and the electric dipole moment of the molecule.