Showing papers in "Journal of Molecular Spectroscopy in 1965"

TL;DR: In this article, a four-orbital model was proposed to explain the visible and Soret bands of the porphin spectrum, where the lowest two pairs of excited configurations are accidentally degenerate and the extensive interaction between them accounts for the great intensity of the Soret and the relative weakness of the visible bands; interaction with higher configurations is negligible.

TL;DR: In this article, the microwave spectrum of (CH3)2CO has been reinvestigated and the spectra of two additional isotopic species, (13CH3)-2CO and (CH 3)-3C18O, have been observed and assigned.

TL;DR: In this article, the frequencies of the lines of a threefold degenerate fundamental band of a spherical top were calculated using a very small number of molecular constants from the experimental data.

TL;DR: In this paper, the UO 2 + ion absorption spectrum of uranyl in perchlorate media has been resolved using a nonlinear least squares (LQS) method.

TL;DR: In this article, a method is proposed to obtain a set of more consistent vibrational constants for CO2, which can possibly be achieved by reversing the traditional assignment of ν1 and 2ν2 in C12O216.

TL;DR: In this paper, the 1-0 and 2-0 bands of HCl 35 have been observed using an absorption tube heated to 900°C, where the spectra were observed with an infrared camera.

TL;DR: The problems studied in quantum mechanics often have a spherical symmetry in first approximation and a lower symmetry in a better approximation for the case where this lower symmetry is cubic, tables of coefficients involved in the calculations have been furnished as discussed by the authors.

TL;DR: In this paper, the exact vibrational wave functions were obtained by direct numerical solution of the radial Schrodinger equation, and the relative band intensities were compared with experimental data for two of these band systems.

TL;DR: In this paper, the quadrupole spectrum of molecular hydrogen has been investigated with spectroscopic instruments of high resolution and a large 44-meter multiple reflection absorption cell and pressure shifts were obtained for five lines in the 1-0 band.

TL;DR: In this paper, the microwave spectrum of azulene (C 10 H 8 ) has been investigated in the frequency region 7-13 GHz and the following rotational constants have been determined for the ground state and one excited vibrational state: A = 2841.951 ± 0.024 MHz, B = 1254.8463 ± 0.,0010 MHz, and C = 870.7162 ± 0.0008 MHz.

TL;DR: In this article, the rotational levels belonging to the B′, B″, D, D′, D″ states have been computed from the absorption spectra of H2, HD, and D2.

TL;DR: In this article, the absorption bands of C 3 H 4 and allene d 4 (C 3 D 4 ) have been measured with high resolution using high-resolution infrared and Raman spectra.

TL;DR: In this article, the rotational analysis of the A2Σ+-X2Π system of CF has been investigated with high dispersion in the region 2190-2965 A and rotational structure of 18 bands analyzed.

TL;DR: In this article, the fundamental frequencies of H2O and D2O were determined for the excited electronic states of two bands of water vapor with origins at 1240 and 1219 A.

TL;DR: In this article, the temperature dependence of the fundamental OH stretching bands of monomeric ethylene glycol and 2-methoxyethanol has been investigated in dilute CCl4 solution.

TL;DR: In this paper, the microwave spectrum of cyclopentene has been investigated and the large deviations of frequencies from those expected for a rigid rotor, initially accounted for by anomalously large centrifugal distortion constants, have been explained in terms of a vibrationrotation interaction involving the out-of-plane bending motion.

TL;DR: In this article, the vibrational frequencies in the excited electronic states are determined and various perturbations of the levels in W16O discussed, and a system of absorption bands beginning at 3452 A in neon is tentatively assigned to WO3.

TL;DR: In this paper, the rotational structure of allene-h 4 has been analyzed in terms of the sign and magnitude of the ratio of the dipole moment derivatives in the two fundamentals.

TL;DR: In this article, the spectra of pyrazine, pyrimidine, and pyridazine, and the fully deuterated species of the first two of these molecules, have been photographed at high dispersion in the vacuum ultraviolet region between 1550 A and 1950 A.

TL;DR: In this article, the Rittner potential and a modification of it by adding a hyperpolarizability term were examined for alkali halide molecules, showing poor results for γe and βe.

TL;DR: In this paper, the Doub and Vandenbelt ultraviolet spectral data on 191 substituted benzenes in aqueous solution have been reexamined and the frequency shifts of the 1 A − 1 L b transition relative to benzene, have been found to obey the Forster formula.

TL;DR: In this article, the absorption and fluorescence spectra of anthracene in n-heptane, fluorene, and biphenyl matrices have been measured at 4°K.

TL;DR: In this article, the three low frequency fundamentals of HNCO have been examined under high resolution and the following assignment made: v 4, 777.1 cm −1 ; v 5,659.S cm − 1 ; and v 6, 577.5 cm−1.

TL;DR: In this paper, the spectra of 23 metal 2,4-substituted deuteroporphyrin IX in chloroform solutions were given or reported in the region 650-250 mμ.

TL;DR: The Levenberg method of damped least squares has been applied to refinement calculations of molecular potential constants from experimental data as discussed by the authors, which removes the mathematical difficulties of ill-conditioned problems.

TL;DR: In this article, a set of rotation-vibration constants for the 2-0 band and microwave determinations of the 3-1 and 4-2 bands were deduced.

TL;DR: In this paper, high resolution NMR spectra of both meso and racemic 2,4-dichloro-, dibrom-, dicyano-, and dihydroxypentanes have been obtained and analyzed.

TL;DR: In this paper, the wavelengths of 39 lines in the 1-0 band, 43 lines in 2-0 bands, and 27 lines in 3-1 bands of HBr 81 were precisely measured.

TL;DR: In this paper, the Coriolis coupling constants and the contributions to the inertia defect from individual vibrational modes are evaluated by using the force constants and fundamental frequencies taken from the literature.

TL;DR: In this article, the free energies of activation at 25°C for rotation about the CN bond were determined from proton magnetic resonance line shapes as follows: N,N -diethylformamide (DEF) 19.6 kcal/mole, N, N-Diethylacetoacetamide (DEA) 16.9 kcal /mole.