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21.
H. Binder I. Duttlinger H. Loos K. Locke A. Pfitzner H.-J. Flad A. Savin M. Kohout 《无机化学与普通化学杂志》1995,621(3):400-404
Synthesis and Vibrational Spectroscopic Investigation of [H3B? Se? Se? BH3]2? and [H3B-μ2-Se(B2H5)]? Crystal Structure and Theoretical Investigation of the Molecular Structure of [H3B-μ2-Se(B2H5)]? M2[H3B? Se? Se? BH3] 1 is produced by the reaction between elemental selenium and MBH4 (1 : 1) in triglyme (diglyme), under dehydrogenation. 1 reacts with an excess of B2H6 to give M[H3B-μ2-Se(B2H5)] 2 which is also formed in the reaction of THF · BH3 with 1 . These reactions proceed under cleavage of the Se? Se bond and hydrogen evolution. [(C6H5)4]Br reacts with Na · 2 to form [(C6H5)4P] · 2 which crystallizes in the tetragonal space group I4 (Nr. 82). An X-ray structure determination failed because of disordering of the cation and anion. 11B, 77Se NMR shifts and 1J(11B1H) coupling constants as well as IR- and Raman spectroscopic investigations convey further structural information. Structural data of 2 have been calculated by SCF methods. The anion of 2 may be viewed either as an adduct of Se with B3H8?, or as a bridge substituted selena derivative of B2H6. 相似文献
22.
Fuxiang Ji Feng Wang Libor Kobera Sabina Abbrent Jiri Brus Weihua Ning Feng Gao 《Chemical science》2021,12(5):1730
Although lead-free halide double perovskites are considered as promising alternatives to lead halide perovskites for optoelectronic applications, state-of-the-art double perovskites are limited by their large bandgap. The doping/alloying strategy, key to bandgap engineering in traditional semiconductors, has also been employed to tune the bandgap of halide double perovskites. However, this strategy has yet to generate new double perovskites with suitable bandgaps for practical applications, partially due to the lack of fundamental understanding of how the doping/alloying affects the atomic-level structure. Here, we take the benchmark double perovskite Cs2AgInCl6 as an example to reveal the atomic-level structure of double perovskite alloys (DPAs) Cs2AgIn1−xFexCl6 (x = 0–1) by employing solid-state nuclear magnetic resonance (ssNMR). The presence of paramagnetic alloying ions (e.g. Fe3+ in this case) in double perovskites makes it possible to investigate the nuclear relaxation times, providing a straightforward approach to understand the distribution of paramagnetic alloying ions. Our results indicate that paramagnetic Fe3+ replaces diamagnetic In3+ in the Cs2AgInCl6 lattice with the formation of [FeCl6]3−·[AgCl6]5− domains, which show different sizes and distribution modes in different alloying ratios. This work provides new insights into the atomic-level structure of bandgap engineered DPAs, which is of critical significance in developing efficient optoelectronic/spintronic devices.Through Fe3+-alloying, the bandgap of benchmark double perovskite Cs2AgInCl6 can be tuned from 2.8 eV to 1.6 eV. The atomic-level structure of Cs2AgIn1−xFexCl6 was revealed by solid-state nuclear magnetic resonance (ssNMR). 相似文献
23.
Jerzy Mroziński Jiří Kohout Mária Hvastijová Helmut Köhler 《Transition Metal Chemistry》1986,11(12):481-484
Summary New coligand isomers of composition Cu{N(CN)2}2(pz)2 and Cu{pz · N(CN)2}2 (pz = pyrazole) were prepared and studied by measuring their magnetic susceptibilities up to 4.2K and by aid of their e.s.r., ligand field and i.r. spectra. The susceptibility data have been analysed with various models for the exchange-coupled copper(II) polymers. It is shown that the resultant exchange coupling is ferromagnetic for Cu{N(CN)2}2(pz)2 (J 1.1 - 1.4 cm–1) but antiferromagnetic for Cu{pz · N(CN)2}2 (J –0.4 cm–1). A polymeric chain structure is proposed for Cu{N(CN)2}2(pz)2 havingpseudo-octahedrally coordinated copper(II) and CN-bridging dicyanamide ligands. Its coligand isomer contains anionic chelate ligands, formed by nucleophilic addition between N(CN)2 and pz in the copper(II) coordination sphere, and giving with this central atom a square-planar system. Definite, but slight axial interaction takes place between these structure units. 相似文献
24.
[reaction: see text] Pi-deficient heteroaromatic thioethers undergo efficient palladium-catalyzed cross-coupling with boronic acids mediated by copper(I) thiophene-2-carboxylate. 相似文献
25.
Mária Hvastijová Jiri Kohout Marián Okruhlica Jerzy Mroziński Lothar Jäger 《Transition Metal Chemistry》1993,18(6):579-582
Summary Dicyanamide complexes of CuII, NiII and CoII of the type M[N(CN)2]2L2, where L = benzimidazole, 2-methyl- or 2-ethylbenzimidazole, have been prepared and studied by spectroscopy and magnetochemistry. The complexes, except for Co[N(CN)2]2 (benzimidazole)2, are six-coordinate, involving bidentate bridging dicyanamide groups. While the NiII complexes have practically octahedral structures, the CuII complexes are pseudooctahedral with similar tetragonal distortion. The ligand field strength in these complexes depends mainly on the steric effect of the benzimidazole ligands. The CoII complex of benzimidazole is monomeric tetrahedral, but that of 2-ethylbenzimidazole is tetragonal octahedral. The oridging function of dicyanamide in the six-coordinate complexes is realized either through both cyanide or through amide and cyanide nitrogens. The complex Cu[N(CN)2]2 (2-methylbenzimidazole)2 is a weak antiferromagnet (J = -0.1 cm–1), exhibiting under ca. 15 K a long-range antiferromagnetic ordering. 相似文献
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Dr. Tana Koudelakova Dr. Radka Chaloupkova Dr. Jan Brezovsky Dr. Zbynek Prokop Dr. Eva Sebestova Dr. Martin Hesseler Dr. Morteza Khabiri Maryia Plevaka Daryna Kulik Dr. Ivana Kuta Smatanova Dr. Pavlina Rezacova Dr. Rudiger Ettrich Prof. Uwe T. Bornscheuer Prof. Jiri Damborsky 《Angewandte Chemie (International ed. in English)》2013,52(7):1959-1963
29.
Jiri Rohn 《Optimization Letters》2012,6(5):1017-1020
The necessary and sufficient P-matrix condition by Rump (Linear Algebra Appl 363:237–250, 2003) is simplified by showing that one of its assumptions can be deleted without affecting validity of the result. 相似文献
30.