Interligand repulsion energy and the twisting of hexadentate chelating ligands

1986 ◽  
Vol 25 (10) ◽  
pp. 1516-1518 ◽  
Author(s):  
Igor Gladstone ◽  
N. J. Rose ◽  
E. C. Lingafelter
Keyword(s):  
Chelating Ligands ◽  
Repulsion Energy

ChemInform Abstract: Interligand Repulsion Energy and the Twisting of Hexadentate Chelating Ligands.

1986 ◽  
Vol 17 (37) ◽  
Author(s):  
I. GLADSTONE ◽  
N. J. ROSE ◽  
E. C. LINGAFELTER
Keyword(s):  
Chelating Ligands ◽  
Repulsion Energy

Hardness and HOMO-LUMO Gap Probed by the Helium Atom Pushing the Molecular Surface of the First-Row Hydride Molecules

2003 ◽  
Vol 68 (12) ◽  
pp. 2344-2354 ◽  
Author(s):  
Edyta Małolepsza ◽  
Lucjan Piela
Keyword(s):  
Helium Atom ◽  
Pauli Exclusion Principle ◽  
Structure Change ◽  
Molecular Surface ◽  
Exclusion Principle ◽  
Probe Position ◽  
Repulsion Energy ◽  
Ionic Dissociation ◽  
Probe Site ◽  
Homo Lumo

A molecular surface defined as an isosurface of the valence repulsion energy may be hard or soft with respect to probe penetration. As a probe, the helium atom has been chosen. In addition, the Pauli exclusion principle makes the electronic structure change when the probe pushes the molecule (at a fixed positions of its nuclei). This results in a HOMO-LUMO gap dependence on the probe site on the isosurface. A smaller gap at a given probe position reflects a larger reactivity of the site with respect to the ionic dissociation.

Lithium Hexamethyldisilazide-Mediated Enolizations:  Influence of Chelating Ligands and Hydrocarbon Cosolvents on the Rates and Mechanisms

2007 ◽  
Vol 129 (39) ◽  
pp. 12023-12031 ◽  
Author(s):  
Peter F. Godenschwager ◽  
David B. Collum
Keyword(s):  
Chelating Ligands ◽  
Lithium Hexamethyldisilazide

Chelating Ligands as Electrolyte Solvent for Rechargeable Zinc-Ion Batteries

2021 ◽  
Vol 33 (4) ◽  
pp. 1330-1340 ◽  
Author(s):  
Vivek Verma ◽  
R. Moesha Chan ◽  
Li Jia Yang ◽  
Sonal Kumar ◽  
Suchinda Sattayaporn ◽  
...  
Keyword(s):  
Zinc Ion ◽  
Chelating Ligands

Transformations of organosilanes by Pt(II) complexes with hemilabile P,N-chelating ligands

2002 ◽  
Vol 646 (1-2) ◽  
pp. 53-58 ◽  
Author(s):  
Ulrich Schubert ◽  
Jürgen Pfeiffer ◽  
Frank Stöhr ◽  
Dietmar Sturmayr ◽  
Susan Thompson
Keyword(s):  
Chelating Ligands

scholarly journals Experimental considerations in metal mobilization from soil by chelating ligands: The influence of soil-solution ratio and pre-equilibration – A case study on Fe acquisition by phytosiderophores

2017 ◽  
Vol 579 ◽  
pp. 1831-1842 ◽  
Author(s):  
W.D.C. Schenkeveld ◽  
R.L. Kimber ◽  
M. Walter ◽  
E. Oburger ◽  
M. Puschenreiter ◽  
...  
Keyword(s):  
Soil Solution ◽  
Chelating Ligands ◽  
Metal Mobilization ◽  
Fe Acquisition

On the structural diversity anions coordinate to the butterfly-shaped [(R2Sn)3O(OH)2]2+ cations and vice versa

2014 ◽  
Vol 92 (6) ◽  
pp. 496-507 ◽  
Author(s):  
Hans Reuter ◽  
Hilko Wilberts
Keyword(s):  
Hydrogen Bonds ◽  
Iodine Atom ◽  
Structural Parameters ◽  
Structural Diversity ◽  
Hydroxyl Groups ◽  
Equatorial Position ◽  
Chelating Ligands ◽  
Trigonal Bipyramidal Coordination ◽  
Trigonal Bipyramidal ◽  
Oxygen Framework

The syntheses and crystal structures of [(t-Bu2Sn)3O(OH)2]CO3·3MeOH, 1a, [(t-Bu2Sn)3O(OH)2]CO3·3H2O·acetone, 1b, [(t-Bu2Sn)3O(OH)2][I]2·[(t-Bu2Sn(OH)I]2·2DMSO, 1c, and [(Cy2Sn)3O(OH)2][I]2·2DMSO, 2a, all containing the trinuclear [(R2Sn)3O(OH)2]2+ ion have been described. The butterfly shape of this cation is derived from two annulated, four-membered tin–oxygen rings with a central μ3-oxygen atom and trigonal-bipyramidally coordinated tin atom both belonging to both rings and two μ2-hydroxyl groups and two outer, four-fold coordinated tin atoms. In 1a and 1b, the carbonate anions interact with the outer tin atoms of the cations as bidentate chelating ligands in the classical syn–syn coordination mode, and vice versa. In this way, both outer tin atoms expand their coordination sphere from four to five, with the consequence that bond angles and lengths within the cation are determined by the axial and equatorial position of the oxygen atoms within the trigonal-bipyramidal coordination on all three tin atoms. 1c consists of two different building units, an up to now unknown hydroxide iodide of composition [(t-Bu2Sn(OH)I]2 with hydrogen-bonded DMSO molecules and a [(t-Bu2Sn)3O(OH)2]2+ cation with one coordinated and one isolated, via hydrogen bonds connected iodine ion. The hydroxide iodine is built up of two five-fold coordinated tin atoms linked via two hydroxyl groups with exocyclic iodine atoms occupying axial positions at the trigonal-biypramidally coordinated tin atoms. The unprecedented coordination of the iodine ion to the [(t-Bu2Sn)3O(OH)2]2+ cation takes place between both outer tin atoms, resulting in a five-fold, trigonal-bipyramidal coordination at these tin atoms, too. Structural parameters within the so-formed [(t-Bu2Sn)3O(OH)2I]+ complex are very similar to those of 1a and 1b, with the exception of a significant lengthening of the tin–oxygen bonds opposite to the bridging iodine atom. 2a represents the first example of the [(R2Sn)3O(OH)2]2+ cation without R = t-butyl, so far. In the solid, it consists of two crystallographic independent [(Cy2Sn)3O(OH)2][I]2 building units, each connected to two DMSO molecules via hydrogen bonds. Both building units are very similar with respect to their conformation. Each of the iodine anions coordinates with only one of the two outer tin atoms, one in an inwards, one in an outwards to the tin-oxygen framework directed position. These tin atoms are therefore also trigonal-bipyramidally coordinated as in 1a−1c, but because of steric reasons one of the trigonal-bipyramids has changed its orientation within the tin–oxygen framework, accompanied by enormous changes of bond lengths and angles therein.

Synthesis and characterisation of platinum(II) complexes containing heterobidentate S,N-chelating ligands: X-ray crystal structure of cis-[Pt{SPPh2NC(Me)NH-S,N}(PMe2Ph)2]Cl

Polyhedron ◽  
2000 ◽  
Vol 19 (7) ◽  
pp. 809-812 ◽  
Author(s):  
Pravat Bhattacharyya ◽  
Alexandra M.Z. Slawin ◽  
J.Derek Woollins
Keyword(s):  
Crystal Structure ◽  
Chelating Ligands ◽  
X Ray
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