Copper nitrenes are of interest as intermediates in the catalytic aziridination of olefins and the amination of C-H bonds. However, despite advances in the isolation and study of late-transition-metal multiply bonded complexes, a bona fide structurally characterized example of a terminal copper nitrene has, to our knowledge, not been reported. In anticipation of such a report, terminal copper n...

The theory of superconductivity developed by Bardeen, Cooper and Schrieffer (BCS) explains the stabilization of electron pairs into a spin-singlet, even frequency, state by the formation of an energy gap within which the density of states is zero. At a superconductor interface with an inhomogeneous ferromagnet, a gapless odd frequency superconducting state is predicted, in which the Cooper pair...

A series of cyclic hydrocarbons analogs where a carbon displays unusual planar tetracoordinate structure is proposed, employing hybrid density functional theory calculations using B3LYP functional and 6-311+G** basis set. Various strategies were employed to design the neutral planar tetracoordinate hydrocarbon analogs. The same strategy is employed for designing the planar tetracoordinate boron...

The photophysical properties of a novel series of non-homoconjugated 1,2-di-, 1,2,3,4-tetra-, and 1,2,3,4,5,6-hexasubstituted fullerenes (compounds 1, 2, and 3, respectively) have been systematically investigated. In this report, we examine the effect of substitution pattern of non-homoconjugated derivatized fullerenes on the ground state UV-Vis absorption, triplet state properties (lifetime, q...

The effects of ethynyl substitution on the electronic structure of cyclobutadiene are investigated in this work. Ethynyl substituted cyclobutadienes may be involved in Bergman cyclization reactions and are possible intermediates in the formation of fullerenes and graphitic sheets. Prediction of the electronic structure of cyclobutadiene is challenging for single-reference ab initio methods beca...

We have measured and fitted the kinetics of luminescence of Ag nanoclusters homogeneously dispersed within the bulk of an oxyfluoride glass, with various sample temperatures. The balance equations for the populations of the excited singlet and triplet states of the Ag nanoclusters are proposed and used in this fitting while taking into account inter-system crossing between the singlet and tripl...

clusters. This process is the first example of a photoinduced isomerization observed in an anion cluster gas-phase system. Potential energy surfaces for the ground state and the excited state ~S1 and T1! are explored by means of B3LYP, MP2, CI-singles, and CASSCF methods. We demonstrate that the isomerization process occurs between the global minimum singlet state Book structure (C2v , A1) and ...

A new class of singlet superconductors with a gap function ∆(k, ωn) which is odd in both momentum and Matsubara frequency is considered. Some of the physical properties of this superconductivity are discussed and it is argued that: i) the electron-phonon interaction can produce this kind of pairing, ii) in many cases there is no gap in the quasiparticle spectrum, iii) these superconductors will...

The organic-inorganic hybrid quantum well compound, (C10H7C2H4NH3)2PbCl4, exhibits enhanced phosphorescence due to the energy transfer from the excitonic state of inorganic quantum well to the triplet state of naphthalene chromophore. In the present study, photoluminescence and optical absorption spectra of (C10H7C2H4NH3)2PbCl4 were investigated under pressure to 6.5 GPa in order to investigate...