Non-innocent ground state electronic structure of a polynuclear copper complex with picolinate bridges

Ground- and excited-state electronic structure of an emissive pyrazine-bridged ruthenium(II) dinuclear complex.

The synthesis, characterization, and electrochemical, photophysical, and photochemical properties of the binuclear compounds [(Ru(H8-bpy)2)2((Metr)2Pz)](PF6)2 (1) and [(Ru(D8-bpy)2)2((Metr)2Pz)](PF6)2 (2), where bpy is 2,2'-bipyridine and H2(Metr)2Pz is the planar ligand 2,5-bis(5'-methyl-4'H-[1,2,4]triaz-3'-yl)pyrazine, are reported. Electrochemical and spectro-electrochemical investigations i...

PREPARATION AND MOLECULAR STRUCTURE OF 2-BENZYLAMINOPYRIDINE COPPER(1) COMPLEX

2-Benzylaminopyridine (HBAP) reacts with NaH in THF and generates the sodium salt (NaBAP). Further reaction of [Cu(TMEDA) ] [CuCl ] with one equivalent of this ligand in THF leads to the formation of a dimeric Cu(1) complex, [Cu (BAP)] . H 0. The molecular structure has been determined by using a single-crystal X-ray diffraction method. The yellow compound crystallizes in the monoclinic s...

Improved ground-state electronic structure and optical dielectric constants with a semilocal exchange functional

A possible ground state and its electronic structure of a mother material ( LaOFeAs ) of new superconductors

Research Institute for Computational Sciences (RICS), National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 Research Center for Integrated Science (RCIS), Japan Advanced Institute of Science and Technology (JAIST), 1-1 Asahidai, Nomi, Ishikawa 923-1292 Creative Research Initiative ’Sousei’ (CRIS), Hokkaido University, Sapporo 001-0021 ...

Reversible switching of the electronic ground state in a pentacoordinated Cu(II) complex.

An easy reversible switching of the electronic ground state in a pentacoordinated copper(II) complex is reported for the first time. The simple protonation of a carboxylic group in a Cu(II) complex with a {dx(2)-y(2)}(1) electronic configuration leads to a flip of the ground electronic configuration from {dx(2)-y(2)}(1) to {dz(2)}(1) in the metal ion.