Electronic structure of lithium graphite

X-ray photoemission spectra of vacuum cleaved LiC₆, prepared from highly oriented pyrolytic graphite, provide a direct measure of the filling of the graphite π bands by electrons from Li. The resulting Fermi energy shift is in agreement with recent band structure calculations and indicates near unity charge transfer from Li. Core level spectra exhibit shifts compatible with the expected charge transger and line shapes showing strong asymmetries resulting from the metallic character of this compound.     

The Clebsch-Gordan coefficients of SU(4)

A set of recurrence relations connecting the matrix elements of finite transformation belonging to the same irreducible representation of SU(4) is used to obtain a wide class of matrix elements. An expression for the Clebsch-Gordan coefficient is obtained by integrating the product of three matrix elements belonging to three different irreducible representations of the group. The symmetry properties of the matrix elements and the Clebsch-Gordan coefficients are discussed.The author is grateful to Professors S.Datta Majumdar and G.Bandyopadhyay of the Department of Physics, I.I.T., Kharagpur, for many helpful discussions. This work was supported by the C.S.I.R., Government of India.     

Excited state property of hardly photodissociable heme-CO adduct studied by time-dependent density functional theory

While most of CO-bound hemes are easily photodissociated with a quantum yield of nearly unity, we occasionally encounter a CO-heme which appears hardly photodissociable under the ordinary measurement conditions of resonance Raman spectra using CW laser excitation and a spinning cell. This study aims to understand such hemes theoretically, that is, the excited-state properties of the five-coordinate heme-CO adduct (5cH) as well as the 6c heme-CO adduct (6cH) with a weak axial ligand. Using a hybrid density functional theory, we scrutinized the properties of the ground and excited spin states of the computational models of a 5cH and a water-ligated 6cH (6cH-H(2)O) and compared these properties with those of a photodissociable imidazole-ligated 6cH (6cH-Im). Jahn-Teller softening for the Fe-C-O bending potential in the a(1)-e excited state was suggested. The excited-state properties of 6cH-Im and 5cH were further studied with time-dependent DFT theory. The reaction products of 6cH-Im and 5cH were assumed to be quintet and triplet states, respectively. According to the time-dependent DFT calculations, the Q excited state of 6cH-Im, which is initially a pure pi-pi state, crosses the Fe-CO dissociative state (2A') without large elongation of the Fe-CO bond. In contrast, the Q state of the 5cH does not cross the Fe-CO dissociative state but results in the formation of the excited spin state with a bent Fe-C-O. Consequently, photoisomerization from linear to bent Fe-C-O in the 5cH is a likely mechanism for apparent nonphotodissociation.     

Medium-dependent electron and H atom transfer between 2'-deoxyadenosine and menadione: a magnetic field effect study

The interaction between 2'-deoxyadenosine and the model antitumor drug menadione has been studied in organic solvent and in micellar medium. The aim of the work is to elucidate the mechanism of this drug-nucleoside interaction and to determine the environmental effects. Laser flash photolysis and magnetic field effect are used to detect the transients and their spin states. The results indicate that H atom transfer and electron transfer are the operative mechanisms depending upon the medium.     

Parameters to Define the Electron Beam Trajectory of a Double-Tapered Disc-Loaded Wideband Gyro-TWT in Profiled Magnetic Field

In the method of tapering the cross section of the interaction structure for broadbanding a gyro-TWT, the different portions of the interaction length of the tapered-cross-section waveguide become effective for different frequency ranges if the magnetic field and beam parameters are profiled to maintain the condition of electron cyclotron resonance throughout the interaction length. In the present paper, the study of profiling the magnetic field and beam parameters in steps of the stepped analytical model of a double-tapered disc-loaded circular waveguide was made throughout the steps of the model. In the observed profile, the magnetic flux density in a typical step relative to its value in first-step decreases from first-step (gun-end) to end-step (collector-end) of the model considering the up-tapering schemes, in which structure parameters increase from gun-end to collector-end. Also, the transverse beam velocity in a typical step relative to its value in first-step decreases from gun-end to collector-end. However, the Larmor radius in a typical step relative to its value in first-step as well as the hollow-beam radius in a typical step relative to its value in first-step, both increase from gun-end to collector-end in the model considering the up-tapering schemes.     

Meson-gluonium mixing and the glueball candidate⇌i(1,460)

The mixing of the glueball candidate?i(1,460) with η and η′ is studied in a chiral symmetry breaking framework. Using the solutions of anomalous Ward identities for flavourU(3)×U(3), we find that the octet-singlet mixing angle is quite large and that our results are consistent with a large glueball component in?i(1,460) with moderate gluonium mixing in η and η′.     

Novel synthetic route to the tricyclic core of (±)-galanthamine

In this Letter, we describe the novel synthetic approach to the tricyclic core of (±)-galanthamine from the easily available starting material isovanillin.     

Fermion to boson mapping

The enveloping algebra, D_n, of fermions is extended on the lattice to include the discrete space invariance. This extended algebra, denoted X, has the space symmetry as a factor: X/D_n = space group.