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Recent advances in understanding blue copper proteins
Recent advances in understanding blue copper proteins

索书号:O62 /C713p (MIT) Principles and Applications Of
索书号:O62 /C713p (MIT) Principles and Applications Of

Chapter 20 The Transition Elements
Chapter 20 The Transition Elements

... Transistion elements  Transition Elements – are the most familiar because they often occur in nature as uncombined elements unlike groups 1 and 2. Transition elements often from colored compounds.  Cobalt – Blue  Cadmium – Yellow  From left to right, aqueous solutions of: Co(NO3)2 (red); K2Cr2O ...
2. Experimental
2. Experimental

... In2O3 and Au−In2O3 samples were obtained by the sol-gel approach. To prepare the Au−In2O3 composite, HAuCl4 solution was added to the sol of In(OH)3. The composite samples with 0.01−1.0 wt. % of Au was prepared. The In(OH)3 sol was synthesized by In(NO3)3 hydrolysis with ammonia solution to form ind ...
Coordination- and Redox-Noninnocent Behavior of Ambiphilic
Coordination- and Redox-Noninnocent Behavior of Ambiphilic

... key roles via metal−ligand cooperation or modulation of the reactivity of the metal center. Ligands featuring group 13 centers, most notably boranes, as their acceptor functionalities have undoubtedly spearheaded these developments, with remarkable results having been achieved in catalytic hydrogena ...
PDF
PDF

Chemical Energetics
Chemical Energetics

... • b. H are measured under standard conditions : • Temperature = 298K ( 250 C ) • Pressure = 1 atm / 1.01 x 105 Pa • Concentrations = 1 mol dm-3 ...
Spin Hall Effect
Spin Hall Effect

... ˆ R  Gˆ   Gˆ   ˆ R   ˆ   Gˆ A  Gˆ R  ˆ   G  G  G0    ...
Chapter 13: EDTA titrations
Chapter 13: EDTA titrations

Chapter 24 Transition Metals and Coordination Compounds
Chapter 24 Transition Metals and Coordination Compounds

Full text - SG
Full text - SG

... going from Mn(II) to Co(II) (the σ contribution) and to Cu(II) (the π contribution). This change in the covalency results from the increased effective nuclear charge of the metal atom in going from Mn(II) to Zn(II) and the change in the 3d orbital populations (d5fd10). Ionic bonding also plays an im ...
3 -or - IONiC / VIPEr
3 -or - IONiC / VIPEr

On the Electronic Structure of [1Fe] Fe−S Complexes from Anionic
On the Electronic Structure of [1Fe] Fe−S Complexes from Anionic

... to Fe(SCN)42-, the isolated tetracoordinate ferrous Fe(SCH3)42dianion is not expected to be stable. But we were not able to observe the Na+ stabilized complex, Na+[Fe(SCH3)42-]. For the tri-coordinate ferrous complex (Figure 4a), a well resolved and relatively weak threshold peak (X) at a VDE of 3.0 ...
Dinesh-ohiostate05
Dinesh-ohiostate05

BCC-44-4-289-298 - Bulgarian Chemical Communications
BCC-44-4-289-298 - Bulgarian Chemical Communications

Fe 4 S 4 Cys 4
Fe 4 S 4 Cys 4

Transition elements – electron configurations
Transition elements – electron configurations

... The 3d sub-shell is filled after the 4s sub-shell, so most of the elements have a full 4s sub-shell, 4s2. But note that chromium and copper have 4s1 electron configurations, not 4s2. This is to allow either a half-filled or a filled d sub-shell to be made – Cr has 3d5 4s1 and Cu has 3d10 4s1. A half ...
TRANSITION METALS
TRANSITION METALS

... series elements show an oxidation state of +2 (when both the 4s-electrons have been lost) and higher oxidation states, when 3d-electrons are involved. As the period is traversed, there is a trend towards decreased stability of the very high oxidation states and also the +2 oxidation state becomes mo ...
Slide 1
Slide 1

A Nontwisted, Ferromagnetically Coupled MnIII3O Triangular
A Nontwisted, Ferromagnetically Coupled MnIII3O Triangular

... decreasing temperature below 15 K at a value of ∼20 cm K mol-1, indicating an S ) 6 ground state (with g ∼ 1.95) that is well isolated from the nearest excited state. This is in agreement with the conclusions from the dc fits. The ac data thus further confirm an S ) 6 ground state for the complex. N ...
Synthesis and Structure of Six-Coordinate Iron Borohydride
Synthesis and Structure of Six-Coordinate Iron Borohydride

... the 31P{1H} NMR spectrum of 2a. The two separate peaks at 222.4 and 226.2 ppm in the 13C{1H} NNR spectrum of 2a can be assigned to chemically inequivalent CO ligands, which is in agreement with the two CO stretching vibrations observed by IR spectroscopy (1838 and 1767 cm−1). The significant decrease ...
VVV
VVV

FT-IR study of nitric-oxide chemisorbed on Rh/Al2O3
FT-IR study of nitric-oxide chemisorbed on Rh/Al2O3

... where PS refers to three independent products separation motions, and R C refers to the direction of the reaction coordinate in the transition-state geometry. The uRCvector corresponds to the mass-weighted atomic displacements vector associated with the imaginary frequency of the transition state. B ...
S R (II) N-
S R (II) N-

... usually those of the second and third transition groups, as is the case of ruthenium. This type of ligand, can coordinate to ruthenium through the S and also the O atom. For example the RuII oxidation state (d6 low spin configuration) has more affinity to S atom given its character of soft Lewis aci ...
Interaction of transition metal ions with small biomolecules. New
Interaction of transition metal ions with small biomolecules. New

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Spin crossover



Spin Crossover (SCO), sometimes referred to as spin transition or spin equilibrium behavior, is a phenomenon that occurs in some metal complexes wherein the spin state of the complex changes due to external stimuli such as a variation of temperature, pressure, light irradiation or an influence of a magnetic field.With regard to a ligand field and ligand field theory, the change in spin state is a transition from a low spin (LS) ground state electron configuration to a high spin (HS) ground state electron configuration of the metal’s d atomic orbitals (AOs), or vice versa. The magnitude of the ligand field splitting along with the pairing energy of the complex determines whether it will have a LS or HS electron configuration. A LS state occurs because the ligand field splitting (Δ) is greater than the pairing energy of the complex (which is an unfavorable process).Figure 1 is a simplified illustration of the metal’s d orbital splitting in the presence of an octahedral ligand field. A large splitting between the t2g and eg AOs requires a substantial amount of energy for the electrons to overcome the energy gap (Δ) to comply with Hund’s Rule. Therefore, electrons will fill the lower energy t2g orbitals completely before populating the higher energy eg orbitals. Conversely, a HS state occurs with weaker ligand fields and smaller orbital splitting. In this case the energy required to populate the higher levels is substantially less than the pairing energy and the electrons fill the orbitals according to Hund’s Rule by populating the higher energy orbitals before pairing with electrons in the lower lying orbitals. An example of a metal ion that can exist in either a LS or HS state is Fe3+ in an octahedral ligand field. Depending on the ligands that are coordinated to this complex the Fe3+ can attain a LS or a HS state, as in Figure 1.Spin crossover refers to the transitions between high to low, or low to high, spin states. This phenomenon is commonly observed with some first row transition metal complexes with a d4 through d7 electron configuration in an octahedral ligand geometry. Spin transition curves are a common representation of SCO phenomenon with the most commonly observed types depicted in Figure 2 in which γHS (the high-spin molar fraction) is plotted vs. T. The figure shows a gradual spin transition (left), an abrupt transition with hysteresis (middle) and a two-step transition (right). For a transition to be considered gradual, it typically takes place over a large temperature range, even up to several hundred K, whereas for a transition to be considered abrupt, it should take place within 10 K or less.These curves indicate that a spin transition has occurred in a metal complex as temperature changed. The gradual transition curve is an indication that not all metal centers within the complex are undergoing the transition at the same temperature. The abrupt spin change with hysteresis indicates a strong cooperativity, or “communication”, between neighboring metal complexes. In the latter case, the material is bistable and can exist in the two different spin states with a different range of external stimuli (temperature in this case) for the two phenomena, namely LS → HS and HS → LS. The two-step transition is relatively rare but is observed, for example, with dinuclear SCO complexes for which the spin transition in one metal center renders the transition in the second metal center less favorable.There are several types of spin crossover that can occur in a complex; some of them are light induced excited state spin trapping (LIESST), ligand-driven light induced spin change (LD-LISC), and charge transfer induced spin transition (CTIST).
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