Photoelectron spectra and sum rule consideration: Effect of chlorine substitution on ionization energies for chloroethanes,chloroacetaldehydes and chloroacetyl chlorides

He(I) photoelectron spectra are reported for various series of chlorine-substituted compounds: (a) CH₃CH_3?mCl_m, (b) CH_3?mCl_mCCl₃, (c) CH_3?mCl_mCHO and (d) CH_3?mCl_mCOCl, where m = 1, 2 and 3. In each series it is shown that the total sum of vertical ionization energies over all p-type localized molecular orbitals (LO's) has an excellent linear relationship to the number of substituted chlorine atoms. The differences in the total orbital energy sum by successive chlorine substitutions are found to be 26.7 eV for series a and b and 27.2 eV for series c and d, yielding the corresponding experimental σ_CCl, energies useful for sum rule considerations. The photoelectron spectra of the chloro compounds studied are interpreted with the help of the sum rule as well as CNDO/2 calculations. Orbital correlation diagrams have been constructed for these compounds.     

Dielectric-field effect correction on i.r. band shapes in the liquid phase

The dielectric-field correction on i.r. band shape in the liquid has been studied by using the Lorentz internal field. The deformation of the band shape is inappreciable for a weak absorption band that becomes measurable only at a sample thickness larger than 10μ. The shapes of the strong singlet and doublet bands of hexafluorobenzene at 1530 cm^?1 and near 1000 cm^?1, respectively, and also of the doublet band of carbon tetrachloride near 790 cm^?1 have been measured in dilute solutions and compared with those for the pure liquid.     

Glueball spectroscopy from strong coupling expansions in hamiltonian lattice QCD

Masses of all the glueballs which are created by 6- or 7-link operators are calculated to order g^?8 in pure SU(3) hamiltonian lattice gauge theory. Several low-lying states are found with masses $\text{m(0}{}^{\mathrm{++1}}\text{)～ 1.4 m}{}_{\mathrm{<mtext>s</mtext>}}\text{, m(0}{}^{\mathrm{++7}}\text{) ～ 1.7 m}{}_{\mathrm{<mtext>s</mtext>}}$ (¹ and ⁷ stand for radial excitations and m_s is the mass of the lowest 0⁺⁺ state), . These values are obtained at the point g^?2 ? 0.8, which lies near the scaling region.     

Band shapes and moment analysis of the far-infrared absorptions of dipolar molecules in solutions

The moment analyses were performed on the far-infrared absorption bands of CH₃CN, CHCl₃, CH₂Cl₂, and their deuterated compounds dissolved in nonpolar solvents. The values of torque acting on the solute molecules were estimated from the fourth moments. The band profiles were simulated by means of the continued-fraction representation of the time correlation function by Mori, using the moment values obtained. The third order long-time approximation of the correlation function yields essentially good simulations. The effective rotation angles of molecules between collisions were estimated from the first positive-to-negative turning points of the memory functions. The solvent effects on the torque and the rotation angle were consistent with each other.     

Raman spectra of anthracene negative ions in tetrahydrofuran solution

Raman spectra of anthracene mono- and di-negative ions in tetrahydrofuran solution were obtained by HeNe and Ar⁺ laser exciting lines. In addition to some frequency shifts from neutral anthracene, remarkable enhancement of intensities by the resonance Raman effect was observed for many aromatic ring vibrations.