Search results for "Crystal"
showing 10 items of 22886 documents
Structure−Dynamics Coupling between Protein and External Matrix in Sucrose-Coated and in Trehalose-Coated MbCO: An FTIR Study
2004
We performed FTIR measurements on carboxy-myoglobin (MbCO) embedded in a sucrose−water matrix to study the degrees of freedom coupling between protein and external matrix in such a system. The work was undertaken on the light of recent results by Giuffrida et al. (J. Phys. Chem. B 2003, 107, 13211−13217), who evidenced, in trehalose-coated MbCO, a structured water−sugar environment of the protein, tightly coupled to the heme pocket structure. Such information was obtained through a suitable analysis of the temperature dependence of the CO stretching and of the water association bands in samples of different content of residual water. We applied here the same analysis to sucrose-coated MbCO.…
Discrete exterior calculus for photonic crystal waveguides
2022
The discrete exterior calculus (DEC) is very promising, though not yet widely used, discretization method for photonic crystal (PC) waveguides. It can be seen as a generalization of the finite difference time domain (FDTD) method. The DEC enables efficient time evolution by construction and fits well for nonhomogeneous computational domains and obstacles of curved surfaces. These properties are typically present in applications of PC waveguides that are constructed as periodic structures of inhomogeneities in a computational domain. We present a two-dimensional DEC discretization for PC waveguides and demonstrate it with a selection of numerical experiments typical in the application area. …
CCDC 1434832: Experimental Crystal Structure Determination
2017
Related Article: A. Chernenkaya, A. Morherr, S. Backes, W. Popp, S. Witt, X. Kozina, S. A. Nepijko, M. Bolte, K. Medjanik, G. Öhrwall, C. Krellner, M. Baumgarten, H. J. Elmers, G. Schönhense, H. O. Jeschke, R. Valentí|2016|J.Chem.Phys.|145|034702|doi:10.1063/1.4958659
CCDC 1942682: Experimental Crystal Structure Determination
2019
Related Article: Xiting Yuan, Cunfa Sun, Xihua Li, Sami Malola, Boon K. Teo, Hannu Häkkinen, Lan-Sun Zheng, Nanfeng Zheng|2019|J.Am.Chem.Soc.|141|11905|doi:10.1021/jacs.9b03009
First results of the experiment to search for 2β decay of 106Cd with the help of 106CdWO4 crystal scintillators
2011
An experiment to search for 2β processes in 106Cd with the help of 106CdWO4 crystal scintillator (mass of 215 g), enriched in 106Cd up to 66 %, is in progress at the Gran Sasso National Laboratories of the INFN (Italy). After 1320 h of data taking, limits on double beta processes in 106Cd have been established on the level of 1019 − 1020 yr, in particular (all the results at 90 % C.L.): T1/2(0ν2ε) > 3.6 · 1020 yr, T1/2(2νεβ+) > 7.2 · 1019 yr, and T1/2(2ν2β+) > 2.5 · 1020 yr. Resonant 0ν2ε processes have been restricted as T1/2(0ν2K) > 1.4 · 1020 yr and T1/2(0νLK) > 3.2 · 1020 yr. A possible resonant enhancement of the 0ν2ε processes is estimated in the framework of the QRPA approach.
Structural, thermal and photomagnetic properties of spin crossover [Fe(bpp)2]2+ salts bearing [Cr(L)(ox)2]- anions
2009
International audience; This paper is divided into two parts: in the first part, the influence of solvate molecules on the magnetic properties of spin crossover salts of [Fe(bpp)(2)][Cr(L)(ox)(2)]ClO(4) x nS (bpp = 2,6-bis(pyrazol-3yl)pyridine; L = 2,2'-bipyridine (bpy) or 1,10-phenanthroline (phen); ox = oxalate dianion; S = solvent) is analyzed. The second part is devoted to the photomagnetic properties of the previously reported [Fe(bpp)(2)][Cr(L)(ox)(2)](2) family of compounds. The study describes the crystal structure, differential scanning calorimetry (DSC) and magnetic properties of [Fe(bpp)(2)][Cr(bpy)(ox)(2)]ClO(4) x EtOH x 4 H(2)O (1) and [Fe(bpp)(2)][Cr(phen)(ox)(2)]ClO(4) x 1.5 …
Optical investigation of spin-crossover in cobalt(II) bis-terpy complexes
2007
Abstract The spin transition of the [Co(terpy) 2 ] 2+ complex (terpy = 2,2′:6′,2″-terpyridine) is analysed based on experimental data from optical spectroscopy and magnetic susceptibility measurements. The single crystal absorption spectrum of [Co(terpy) 2 ](ClO 4 ) 2 shows an asymmetric absorption band at 14 400 cm −1 with an intensity typical for a spin-allowed d–d transition and a temperature behaviour typical for a thermal spin transition. The single crystal absorption spectra of suggest that in this compound, the complex is essentially in the high-spin state at all temperatures. However, the increase in intensity observed in the region of the low-spin MLCT transition with increasing te…
(R)-(−)-Quinuclidin-3-ol
2013
The structure of the title compound [alternatively called (R)-(−)-1-azabicyclo[2.2.2]octan-3-ol], C7H13NO, at 100 K has hexagonal (P61) symmetry. The structure shows a twist along the C—N pseudo-threefold axis. In the crystal, molecules are linkedviaO—H...N hydrogen bonds, forming infinite chains along thec-axis direction. The crystal studied was twinned by merohedry (twin law: 010, 100, 00-1; population: 0.925:0.075)
Metall-π-Komplexe von Benzolderivaten, XII Hyperfeinstruktur und Linienbreiten in den ESR-Spektren methylierter und deuterierter Bis(η-benzol)chrom(I…
1979
Die vollstandige Reihe der Methyl-Substitutionsprodukte des Bis(η-benzol)chrom(I)+·-Radikalkations sowie ausgewahlte deuterierte Derivate desselben wurden in Losung und in glasartig erstarrtem Medium ESR-spektroskopisch untersucht. 1H-, 2D- und 53Cr-Hyperfeinparameter werden mitgeteilt und das Proton/Deuteron-Kopplungskonstantenverhaltnis wird diskutiert. Die Betrage von a(1HAren) und a(1HMethyl) variieren innerhalb enger Grenzen (3,454,15 bzw. 0,50,7 G), wobei a(1HAren) mit zunehmendem Methylierungsgrad zunimmt. Um die Konformationsabhangigkeit von a(1HMethyl) zu studieren, werden die ESR-Spektren von (η12-[2.2]Paracyclophan)-chrom(I)+·, 21+·, und Bis(1,4-dimethyl-η6-benzol)chrom(I)+·, 5+·…
The [Fe(etz)6](BF4)2 Spin-Crossover System—Part One: High-Spin ⇌ Low-Spin Transition in Two Lattice Sites
1996
The [Fe(etz),](BF,), spin-cross-over system (etz = 1-ethyl-1 H-tetrazole) crystallizes in space group P1, with the following lattice constants at 298 K: a 10.419(3), b=15.709(1), c = 18.890(2) A = = 71.223(9), =77.986(10), and = 84.62(1)° V = 2862.0(9) A3 and Z = 3. Two nonequivalent lattice sites, one without (site A) and one with (site B) inversion symmetry, are observed. The population of the two sites nA:nB is 2:l. Iron(II) on site A undergoes a thermal low-spin (LS) high-spin (HS) transition with T1/2I, = 105 K. whereas that on site B remains in the high-spin state down to cryogenic temperatures. Application of external pressure of up to 1200 bar between 200 and 60 K does not cause for…