X-Ray study of the co-ordination geometry about iron in the {fluoro[6,6′,6″-phosphinidynetris(α-picolinaldehyde oximato)(3–)]borato(1–)}iron(1+) cation. Trigonal prismatic encapsulation vs. octahedral ligand-field stabilization energy

1971 ◽  
Vol 0 (20) ◽  
pp. 1307-1308 ◽  
Author(s):  
Melvyn R. Churchill ◽  
Arthur H. Reis
Keyword(s):  
Stabilization Energy ◽  
Ligand Field ◽  
X Ray ◽  
Trigonal Prismatic

The Coordination Chemistry of Phosphoryl Compounds Containing the — N(CH3)2 Group, Part VIII

1972 ◽  
Vol 27 (7) ◽  
pp. 759-763 ◽  
Author(s):  
M. W. G. De Bolster ◽  
W. L. Groeneveld
Keyword(s):  
Coordination Chemistry ◽  
General Formula ◽  
Ligand Field ◽  
Chemical Analyses ◽  
X Ray ◽  
Physical Measurements ◽  
Ligand Field Spectra ◽  
Chloride Adduct ◽  
Ligand Field Parameters ◽  
Group Part

A number of new solvates and adducts containing bisphenyldimethylaminophosphine oxide is reported. The solvates have the general formula M[(C6H5)2P(O)N(CH3)2]42+(anion-)2, in which M = Mg, Ca, Mn, Fe, Co, Ni, Cu, Zn and Cd, and the anions are ClO4- and BF4-. The adducts have the general formula M[(C6H5)2P(O)N(CH3)2]2Cl2, where M stands for the same series of metals.The compounds are characterized and identified by chemical analyses and physical measurements.Ligand-field and vibrational spectra have been investigated; values for the ligand-field parameters are reported. It is concluded that coordination takes place via the oxygen atom of the ligand.X-ray powder patterns were used in combination with ligand-field spectra to deduce the coordination around the metal ions.The interesting behaviour of the nickel (II) chloride adduct upon heating is discussed and it is shown that both a square pyramidal and a tetrahedral modification exists.

A New Analysis of the Ligand Field Stabilization Energy

1995 ◽  
Vol 34 (12) ◽  
pp. 3253-3259 ◽  
Author(s):  
David A. Johnson ◽  
Peter G. Nelson
Keyword(s):  
Stabilization Energy ◽  
Ligand Field

Charge transfer associated with lithium insertion in Mo1−yNbyS2 layered compounds

1984 ◽  
Vol 62 (1) ◽  
pp. 10-14 ◽  
Author(s):  
M. A. Py ◽  
R. R. Haering
Keyword(s):  
Voltage Drop ◽  
Structural Disorder ◽  
Host Lattice ◽  
Layered Compounds ◽  
Electrochemical Cells ◽  
X Ray Diffraction ◽  
Electronic Density ◽  
X Ray ◽  
Critical Composition ◽  
Trigonal Prismatic

The Mo1−yNbyS2 layered compounds form solid solutions. The coordination of the Mo and Nb atoms by S atoms is trigonal prismatic over the entire range of composition, 0 ≤ y ≤ 1. The [Formula: see text] band, separated from the other d-bands by a bandgap of the order of 1 eV, contains y empty states per formula unit. For y ≤ 0.6, Li/LixMo1−yNbyS2 electrochemical cells reveal a sharp voltage drop of V(x) at a critical composition x which is correlated to y by [Formula: see text]. This result clearly establishes the transfer of one electron per intercalated lithium (x ≤ 0.6) to the [Formula: see text] band of the host.Electrochemical cells, made with samples whose X-ray diffraction spectra suggest the presence of structural disorder in the host lattice, show a less abrupt voltage drop near xc, in qualitative agreement with the influence of disorder on the electronic density-of-states distribution N(E) near a band edge. The origin of the voltage drop observed for LixMo0.2Nb0.8S2 is not fully established.

scholarly journals Using Ultrafast X-ray Spectroscopy To Address Questions in Ligand-Field Theory: The Excited State Spin and Structure of [Fe(dcpp)2]2+

2019 ◽  
Vol 58 (14) ◽  
pp. 9341-9350 ◽  
Author(s):  
Alexander Britz ◽  
Wojciech Gawelda ◽  
Tadesse A. Assefa ◽  
Lindsey L. Jamula ◽  
Jonathan T. Yarranton ◽  
...  
Keyword(s):  
Field Theory ◽  
Excited State ◽  
Ligand Field ◽  
Ligand Field Theory ◽  
X Ray ◽  
State Spin

Ternary Thallides REMgTl (Re = Y, La – Nd, Sm, Gd – Tm, Lu)

2005 ◽  
Vol 60 (3) ◽  
pp. 265-270 ◽  
Author(s):  
Rainer Kraft ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Rare Earth Metal ◽  
High Frequency ◽  
Three Dimensional ◽  
Earth Metal ◽  
X Ray ◽  
Sample Chamber ◽  
Trigonal Prismatic Coordination ◽  
Trigonal Prismatic

The rare earth metal (RE)-magnesium-thallides REMgTl (RE = Y, La-Nd, Sm, Gd-Tm, Lu) were prepared from the elements in sealed tantalum tubes in a water-cooled sample chamber of a high-frequency furnace. The thallides were characterized through their X-ray powder patterns. They crystallize with the hexagonal ZrNiAl type structure, space group P62m, with three formula units per cell. Four structures were refined from X-ray single crystal diffractometer data: α = 750.5(1), c = 459.85(8) pm, wR2 = 0.0491, 364 F2 values, 14 variables for YMgTl; α = 781.3(1), c = 477.84(8) pm, wR2 = 0.0640, BASF = 0.09(2), 425 F2 values, 15 variables for LaMgTl; α = 774.1(1), c = 473.75(7) pm, wR2 = 0.0405, 295 F2 values, 14 variables for CeMgTl; a = 760.3(1), c = 465.93(8) pm, wR2 = 0.0262, 287 F2 values, 14 variables for SmMgTl. The PrMgTl, NdMgTl, GdMgTl, TbMgTl, and DyMgTl structures have been analyzed using the Rietveld technique. The REMgTl structures contain two cystallographically independent thallium sites, both with tri-capped trigonal prismatic coordination: Tl1Mg3RE6 and Tl2Mg6RE3. Together the magnesium and thallium atoms form three-dimensional [MgTl] networks with Mg-Mg distances of 327 and Mg-Tl distances in the range 299 - 303 pm (data for CeMgTl)

Sr4Pt10In21 – the first representative of the Ho4Ni10In21 type with a divalent cation

2019 ◽  
Vol 74 (5) ◽  
pp. 443-449 ◽  
Author(s):  
Birgit Heying ◽  
Jutta Kösters ◽  
Rainer Pöttgen
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Glassy Carbon ◽  
Divalent Cation ◽  
High Frequency ◽  
Three Dimensional ◽  
X Ray ◽  
Trigonal Prismatic Coordination ◽  
Trigonal Prismatic

AbstractRod-shaped single crystals of Sr4Pt10In21were prepared from the elements in glassy-carbon crucibles in a high-frequency furnace. The structure of Sr4Pt10In21was refined from single-crystal X-ray diffractometer data:C2/m, Ho4Ni10Ga21type,a = 2322.62(7),b = 450.27(2),c = 1958.09(7) pm,β = 133.191(3)°,wR = 0.0464, 3200F2values and 107 variables. The three-dimensional [Pt10In21]δ−polyanionic network is stabilized through substantial Pt–In (269–313 pm Pt–In) and In–In (294–362 pm In–In) bonding. All platinum atoms have slightly distorted tri-capped trigonal prismatic coordination and the two crystallographically independent strontium atoms are located in penta-capped pentagonal prisms.

Ligand-Field Strength and Symmetry-Restricted Covalency in CuIIComplexes - a Near-Edge X-ray Absorption Fine Structure Spectroscopy and Time-Dependent DFT Study

2015 ◽  
Vol 2015 (16) ◽  
pp. 2707-2713 ◽  
Author(s):  
Giulia Mangione ◽  
Luciano Pandolfo ◽  
Mauro Sambi ◽  
Giovanni Ligorio ◽  
Marco Vittorio Nardi ◽  
...  
Keyword(s):  
Fine Structure ◽  
Field Strength ◽  
Time Dependent ◽  
Dft Study ◽  
Ligand Field ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption
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