A Rare Example of a Krypton Difluoride Coordination Compound: [BrOF2][AsF6]·2KrF2

2010 ◽  
Vol 132 (10) ◽  
pp. 3533-3542 ◽  
Author(s):  
David S. Brock ◽  
Jonathan J. Casalis de Pury ◽  
Hélène P. A. Mercier ◽  
Gary J. Schrobilgen ◽  
Bernard Silvi
Keyword(s):  
Coordination Compound ◽  
Krypton Difluoride

ChemInform Abstract: A Rare Example of a Krypton Difluoride Coordination Compound: [BrOF2][AsF6]·2KrF2.

ChemInform ◽  
2010 ◽  
Vol 41 (24) ◽  
pp. no-no ◽  
Author(s):  
David S. Brock ◽  
Jonathan J. Casalis de Pury ◽  
Helene P. A. Mercier ◽  
Gary J. Schrobilgen ◽  
Bernard Silvi
Keyword(s):  
Coordination Compound ◽  
Krypton Difluoride

On the reliability of volume-based thermodynamics for inorganic-organic salts and coordination compounds with uncharged ligands

2017 ◽  
Author(s):  
Robson de Farias
Keyword(s):  
Coordination Compound ◽  
Coordination Compounds ◽  
Formation Enthalpy ◽  
Lattice Energy ◽  
Chemical Hardness ◽  
Acid Anion ◽  
Organic Salts ◽  
Density Values ◽  
Lattice Energies

In the present work, the reliability of the volume-based thermodynamics (VBT) methods in the calculation of lattice energies is investigated by applying the “traditional” Kapustinskii equation [8], as well as Glasser-Jenkins [3] and Kaya [5] equations to calculate the lattice energies for Na, K and Rb pyruvates [9-11] as well as for the coordination compound [Bi(C<sub>7</sub>H<sub>5</sub>O<sub>3</sub>)<sub>3</sub>C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>] [17] (in which C<sub>12</sub>H<sub>8</sub>N<sub>2</sub> = 1,10 phenathroline and C<sub>7</sub>H<sub>5</sub>O<sub>3</sub><sup>-</sup>= <i>o</i>-hyddroxybenzoic acid anion). As comparison, the lattice energies are also calculated using formation enthalpy values for sodium pyrivate and [Bi(C<sub>7</sub>H<sub>5</sub>O<sub>3</sub>)<sub>3</sub>C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>]. For the pyruvates, is verified that none of the considered approach, Kapustinskii, Glasser, Kaya or density, provides values that agrees in an acceptable % difference, with the lattice energy values calculated from the formation enthalpy values. However, it must be pointed out that Kaya approach, with deals with a chemical hardness approach is the better one for such kind of inorganic-organic salts. Based on data obtained for [Bi(C<sub>7</sub>H<sub>5</sub>O<sub>3</sub>)<sub>3</sub>C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>] is concluded that the only one VBT method that provides reliable lattice energies for compounds with bulky uncharged ligands is that one based on density values (derived by Glasser-Jenkins).

scholarly journals A Complete Ab Initio View of Orbach and Raman Spin–Lattice Relaxation in a Dysprosium Coordination Compound

2021 ◽  
Author(s):  
Matteo Briganti ◽  
Fabio Santanni ◽  
Lorenzo Tesi ◽  
Federico Totti ◽  
Roberta Sessoli ◽  
...  
Keyword(s):  
Ab Initio ◽  
Coordination Compound ◽  
Lattice Relaxation ◽  
Spin Lattice Relaxation ◽  
Spin Lattice

Synthesis and properties of a lithium-organic coordination compound as lithium-inserted material for lithium ion batteries

2010 ◽  
Vol 12 (9) ◽  
pp. 1253-1256 ◽  
Author(s):  
Rong-hua Zeng ◽  
Xiao-ping Li ◽  
Yong-cai Qiu ◽  
Wei-shan Li ◽  
Jin Yi ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Coordination Compound ◽  
Lithium Ion

ChemInform Abstract: INTERCALATION OF KRYPTON DIFLUORIDE INTO A GRAPHITE LATTICE

1977 ◽  
Vol 8 (45) ◽  
pp. no-no
Author(s):  
H. SELIG ◽  
P. K. GALLAGHER ◽  
L. B. EBERT
Keyword(s):  
Krypton Difluoride ◽  
Graphite Lattice

Amminelithium Amidoborane Li(NH3)NH2BH3: A New Coordination Compound with Favorable Dehydrogenation Characteristics

2010 ◽  
Vol 16 (12) ◽  
pp. 3763-3769 ◽  
Author(s):  
Guanglin Xia ◽  
Xuebin Yu ◽  
Yanhui Guo ◽  
Zhu Wu ◽  
Chuanzhen Yang ◽  
...  
Keyword(s):  
Coordination Compound

Theoretical analysis of the oxocarbons: structure and spectroscopic properties of croconate ion and its coordination compound with lithium

2001 ◽  
Vol 3 (17) ◽  
pp. 3499-3505 ◽  
Author(s):  
Georgia M. A. Junqueira ◽  
William R. Rocha ◽  
Wagner B. De Almeida ◽  
He′lio F. Dos Santos
Keyword(s):  
Theoretical Analysis ◽  
Coordination Compound ◽  
Spectroscopic Properties
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