Search results for "crossover"
showing 10 items of 658 documents
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…
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…
On the Bias of Syntactic Geometric Recombination in Genetic Programming and Grammatical Evolution
2015
For fixed-length binary representations as used in genetic algorithms, standard recombination operators (e.g.,~one-point crossover) are unbiased. Thus, the application of recombination only reshuffles the alleles and does not change the statistical properties in the population. Using a geometric view on recombination operators, most search operators for fixed-length strings are geometric, which means that the distances between offspring and their parents are less than, or equal to, the distance between their parents. In genetic programming (GP) and grammatical evolution (GE), the situation is different since the recombination operators are applied to variable-length structures. Thus, most r…
A new 3-D polymeric spin transition compound: [tris(1,4-bis(tetrazol-1-yl)butane-N1,N 1′)iron(II)] bis(perchlorate)
2001
A series of novel polymeric compounds of formula [M(btzb)3][ClO4]2 (Mll = Fe, Ni or Cu) with btzb = 1,4-bis-(tetrazol-1-yl)butane have been prepared and their physical properties investigated. The btzb ligand has been prepared and its crystal structure determined, together with a tentative crystal structure of the 3-D compound [Fe(btzb)3][ClO4]2. The model of the latter shows two symmetry-related, interpenetrating Fe-btzb networks in which the iron(II) ions approach each other as close as 8.3 and 9.1 A. This supramolecular catenane undergoes a sharp thermal spin transition around 160 K with hysteresis (20 K) along with a pronounced thermochromic effect. The spin crossover behaviour has been…
Communication between iron(II) building blocks in cooperative spin transition phenomena
2003
[EN] In the present article we discuss the cooperative nature of the spin crossover phenomenon in iron(II) complexes, providing a perspective of the state of the art in this area. The first aspect we discuss is the role of the intermolecular interactions, more precisely the ¿-interactions, in mononuclear complexes. We show that by playing with the nature of the ligands, aliphatic, aromatic, or extended aromatic, it is possible to create stronger cohesive forces and receive a more cooperative response from the compound. In the next step the singular family of bipyrimidine-bridged iron(II) dinuclear compounds is presented as the simplest example of polynuclear spin crossover complexes exhibit…
Nuevos materiales moleculares de hierro(II) multipropiedad basados en el fenómeno de transición de espín
2017
En esta Tesis Doctoral se presenta la síntesis y caracterización de una serie de materiales multifuncionales de FeII que tienen como denominador común el fenómeno de transición de espín (TS). El objetivo general es investigar sinergias entre la TS y otra propiedad fisicoquímica mediante el estudio de su estructura molecular y sus propiedades magnéticas y calorimétricas, entre otras. En el Capítulo Uno se exponen los conceptos más relevantes del fenómeno TS en el cual los centros TS experimentan una conversión de espín HS↔LS (HS: estado de espín alto, LS: estado de espín bajo) en respuesta a un estímulo externo tal como temperatura, presión, luz o la presencia de analitos. En particular, una…
Dynamics of Metal Centers Monitored by Nuclear Inelastic Scattering
2005
Nuclear inelastic scattering of synchrotron radiation has been used now since 10 years as a tool for vibrational spectroscopy. This method has turned out especially useful in case of large molecules that contain a M\"ossbauer active metal center. Recent applications to iron-sulfur proteins, to iron(II) spin crossover complexes and to tin-DNA complexes are discussed. Special emphasis is given to the combination of nuclear inelastic scattering and density functional calculations.
Recurrence time distribution and temporal clustering properties of a cellular automaton modelling landslide events
2018
Abstract. Reasonable prediction of landslide occurrences in a given area requires the choice of an appropriate probability distribution of recurrence time intervals. Although landslides are widespread and frequent in many parts of the world, complete databases of landslide occurrences over large periods are missing and often such natural disasters are treated as processes uncorrelated in time and, therefore, Poisson distributed. In this paper, we examine the recurrence time statistics of landslide events simulated by a cellular automaton model that reproduces well the actual frequency-size statistics of landslide catalogues. The complex time series are analysed by varying both the threshold…
The boson peak of deeply cooled confined water reveals the existence of a low-temperature liquid-liquid crossover.
2014
International audience; The Boson peak of deeply cooled water confined in the pores of a silica xerogel is studied by inelastic neutron scattering at different hydration levels to separate the contributions from matrix, water on the pore surfaces and "internal" water. Our results reveal that at high hydration level, where the contribution from internal water is dominant, the temperature dependence of the Boson peak intensity shows an inflection point at about 225 K. The complementary use of differential scanning calorimetry to describe the thermodynamics of the system allows identifying the inflection point as the signature of a water liquid-liquid crossover.
The effects of rapid weight loss on skeletal muscle in judo athletes
2020
Abstract Objective To observe the effect of rapid weight loss (RWL) methods over 3 days on muscle damage in judokas. Methods Eighteen judokas participated in this crossover study, meaning that judo athletes were subjected to exercise-only phase (4 days) and RWL phase (3 days). Subjects were tested for myoglobin, creatine kinase, aldolase, hemoglobin, and hematocrit values on seven consecutive days. These biomarkers served as indicators of acute muscle damage. Results During the exercise-only phase, no significant changes were observed. Myoglobin (Mb) (p < 0.001), creatine kinase (CK) (p < 0.001) and aldolase (ALD) (p < 0.001) significantly increased only during the RWL phase, as we…