The title neutral copper complex, [Cu(2)Cl(4)(C(8)H(17)N(3)O(2))(2)], shows a binuclear center with a Cu-(μ-Cl)(2)-Cu core, in which each copper ion is coordinated by the N,N,O donor atoms of the tridentate ligand 1,4,6-trimethyl-6-nitro-1,4-diazepine (meaaz-NO(2)) and three chloride exogenous ligands. Each metal ion is facially coordinated by meaaz-NO(2) through N,N,O donor atoms, whereas two ...

The hydrazone anion in the title compound, [V(C(11)H(12)N(3)O(2))O(2)]·H(2)O, is zwitterionic as its pyridyl N atom is protonated; the O, N and O' atoms span the axial-equatorial-axial positions of the trigonal-bipyramidal coord-in-ation polyhedron of the metal atom. All non-H atoms lie on a crystallographic mirror plane apart from the oxide ligands, which are related by mirror symmetry. The py...

UNLABELLED We present a comparative study of thermal donor (TD) center formation mechanisms as a result of carbon ion implantation into float zone (FZ-Si) and Czochralski (Cz-Si) silicon crystals. The kinetics of the TD center formation and transformation of their structure during annealing have been investigated. Also, the TD center formation takes place after additional oxygen implantation in...

The title compound, [CoBr(2)(C(18)H(12)N(6)S)], is a mononuclear complex in which a twofold rotation axis passes through the Co and S atoms. The Co(II) center is six-coordinated by four N atoms from one bis-[4-(2-pyrid-yl)pyrimidin-2-yl] sulfide (L) ligand and two bromide anions, forming an octa-hedral coordination geometry, where the four donor N atoms are located in the equatorial plane and t...

The structure of the title compound, [NaRuCl(4)(C(2)H(6)OS)(2)](n), comprises centrosymmetric [RuCl(2)(DMSO)Na(DMSO)Cl(2)Ru] units (DMSO is dimethyl sulfoxide, C(2)H(6)OS), with two Ru atoms, each lying on a crystallographic centre of inversion, connected via Na atoms, DMSO and chloride ligands into a two-dimensional (110) array. Both Ru(III) atoms are octa-hedrally coordinated by four chloride...

In the title complex, [Co(C(5)HF(6)O(2))(2)(C(12)H(9)BrN(2))], the Co(II) atom exhibits a pseudo-octa-hedral coordination geometry, comprising two N-donor atoms from a bidentate chelate (4-bromo-phen-yl)(2-pyridyl-methyl-idene)amine (ppa(Br)) ligand [Co-N = 2.098 (2) and 2.209 (2) Å] and four O-donor atoms from two bidentate chelate 1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionate (hfac) ligands [Co...

We propose the redistribution-reconfiguration~(red-rec) algorithm to efficiently compute control protocols assemble compact-centered configurations of atoms in two-dimensional arrays optical traps with lattice geometries. The red-rec redistributes among pairs donor-receiver columns and reconfigures each column using an exact displacement-minimizing algorithm, harnessing parallel operations that...

In this research, the effects of Al&S doped on the HCN interaction with beryllium oxide nanotube (BeONTs) are investigated by using density functional theory at the cam-B3LYP/6-31G (d) level of theory. Inspection of computational results reveals that the adsorption energies of all considered models are in range of −1.39 to −31.84 Kcal/mol and exothermic in view of thermodynamic approach. Due to...

mp2 calculations with cc-pvtz basis set were used to analyze intermolecular interactions in f3cx···yli···nccn and f3cx···nccn···liy triads (x = cl, br; y = cn, nc) which are connected via halogen and lithium bonds. those complexes with the role of liy as halogen acceptor and lithium donor show cooperativity with energy values ranging between -1.97 and -2.92 kj mol-1. those complexes with simult...