Search results for "OCT"
showing 10 items of 3052 documents
CCDC 981913: Experimental Crystal Structure Determination
2014
Related Article: Abdou K. D. Dimé, Charles H. Devillers, Hélène Cattey, Dominique Lucas|2014|Dalton Trans.|43|14554|doi:10.1039/C4DT00221K
CCDC 261263: Experimental Crystal Structure Determination
2006
Related Article: Zhenyu Shi, Jun Peng, C.J.Gomez-Garcia, S.Benmansour, Xiaojun Gu|2006|J.Solid State Chem.|179|253|doi:10.1016/j.jssc.2005.09.051
CCDC 723744: Experimental Crystal Structure Determination
2010
Related Article: A.Gonzalez-Alvarez, I.Alfonso, J.Cano, P.Diaz, V.Gotor, V.Gotor-Fernandez, E.Garcia-Espana, S.Garcia-Granda, H.R.Jimenez, F.Lloret|2009|Angew.Chem.,Int.Ed.|48|6055|doi:10.1002/anie.200901888
CCDC 1919442: Experimental Crystal Structure Determination
2019
Related Article: Jana Anhäuser, Rakesh Puttreddy, Lukas Glanz, Andreas Schneider, Marianne Engeser, Kari Rissanen, Arne Lützen|2019|Chem.-Eur.J.|25|12294|doi:10.1002/chem.201903164
CCDC 1919440: Experimental Crystal Structure Determination
2019
Related Article: Jana Anhäuser, Rakesh Puttreddy, Lukas Glanz, Andreas Schneider, Marianne Engeser, Kari Rissanen, Arne Lützen|2019|Chem.-Eur.J.|25|12294|doi:10.1002/chem.201903164
Hexakis(diethylacetamide)iron(II) hexahalorhenate(IV) ionic salts: X-ray structures and magnetic properties
2015
Two novel Fe<sup>II</sup>-Re<sup>IV</sup> compounds of general formula [Fe<sup>II</sup>(DEA)<inf>6</inf>][Re<sup>IV</sup>X<inf>6</inf>] where DEA = diethylacetamide and X = Cl (1) and Br (2) have been prepared and magnetostructurally characterised. Complexes 1 and 2 are isomorphic ionic salts that crystallise in the trigonal crystal system with space group R(-3). The rhenium(IV) ion in 1 and 2 is six-coordinate with six chloro (1) or bromo (2) ligands building a regular octahedral chromophore. The Fe<sup>II</sup> ion is also six-coordinate, and bonded to six oxygen atoms from six DEA molecules. [Fe<sup>…
Thermal- and photo-induced spin crossover in the 1D coordination polymer [Fe(4-tBupy)3][Au(CN)2]2 (4-tBupy = 4-tert-butylpyridine)
2021
Reaction of the unidentate pyridine ligand containing a bulky t-butyl substituent with Fe2+ and [Au(CN)2]− affords a new type of spin crossover (SCO) coordination polymer in the 1D compound [Fe(4-tBupy)3][Au(CN)2]2⋅0.5H2O (1), which is formed by chains of Fe(II) complexes linked through bridging [Au(CN)2]− with three terminal 4-tBupy and one monodentate [Au(CN)2]− ligands completing the octahedral coordination around Fe(II). Longer reaction times led to the minor products [Fe(4-tBupy)2][Au(CN)2]2 (2), which presents a 2D structure more similar to that found in the other SCO compounds based on [Au(CN)2]−, and the 1D compound [Fe(4-tBupy)2(MeOH)][Au(CN)2]2 (3), in which one of the three termi…
Pressure-induced insulator-to-metal transition in α-SnWO4
2016
In-situ high-pressure W L1 and L3 edges x-ray absorption and mid-infrared spectroscopies complemented by first-principles calculations suggest the existence of pressure- induced insulator-to-metal transition in α-SnWO4 in the range of 5-7 GPa. Its origin is explained by a symmetrization of metal-oxygen octahedra due to a strong interaction of Sn 5s, W 5d and O 2p states along the b-axis direction, leading to a collapse of the band gap.
Atomic structure of manganese-doped yttrium orthoaluminate
2018
Abstract Using hybrid exchange-correlation functional within density functional theory we have performed first-principle total energy calculations of Mn-doped yttrium orthoaluminate (YAlO3). Its equilibrium atomic structure has been predicted through optimization of coordinates of all atoms using a supercell approach. In our research both Mn3+ and Mn2+ ions have been substituted for the host alumina atom at orthorhombic Pbnm unit cell of YAlO3. F-center has been implemented as charge-compensating defect in case, when Mn2+ dopant is under study. In this study we thoroughly analyze the atomic displacements in seven nearest to Mn ion coordination spheres. Insertion of isoelectronic substitutio…
Luminescence of polymorphous SiO2
2016
Abstract The luminescence of self-trapped exciton (STE) was found and systematically studied in tetrahedron structured silica crystals (α-quartz, coesite, cristobalite) and glass. In octahedron structured stishovite only host material defect luminescence was observed. It strongly resembles luminescence of oxygen deficient silica glass and γ or neutron irradiated α-quartz. The energetic yield of STE luminescence for α-quartz and coesite is about 20% of absorbed energy and about 5(7)% for cristobalite. Two types of STE were found in α-quartz. Two overlapping bands of STEs are located at 2.5–2.7 eV. The model of STE is proposed as Si–O bond rupture, relaxation of created non-bridging oxygen (N…