scholarly journals Coordination Behavior of [Cp″2Zr(µ1:1-As4)] towards Lewis Acids

Molecules ◽  
2021 ◽  
Vol 26 (10) ◽  
pp. 2966
Author(s):  
Veronika Heinl ◽  
Gábor Balázs ◽  
Sarah Koschabek ◽  
Maria Eckhardt ◽  
Martin Piesch ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Lewis Acid ◽  
Reaction Temperature ◽  
Lewis Acids ◽  
Computational Studies ◽  
Coordination Modes ◽  
Coordination Numbers ◽  
Coordination Behavior

The functionalization of the arsenic transfer reagent [Cp″2Zr(η1:1-As4)] (1) focuses on modifying its properties and enabling a broader scope of reactivity. The coordination behavior of 1 towards different Lewis-acidic transition metal complexes and main group compounds is investigated by experimental and computational studies. Depending on the steric requirements of the Lewis acids and the reaction temperature, a variety of new complexes with different coordination modes and coordination numbers could be synthesized. Depending on the Lewis acid (LA) used, a mono-substitution in [Cp″2Zr(µ,η1:1:1:1-As4)(LA)] (LA = Fe(CO)4 (4); B(C6F5)3 (7)) and [Cp″2Zr(µ,η3:1:1-As4)(Fe(CO)3)] (5) or a di-substitution [Cp″2Zr(µ3,η1:1:1:1-As4)(LA)2] (LA = W(CO)5 (2); CpMn(CO)2 (3); AlR3 (6, R = Me, Et, iBu)) are monitored. In contrast to other coordination products, 5 shows an η3 coordination in which the butterfly As4 ligand is rearranged to a cyclo-As4 ligand. The reported complexes are rationalized in terms of inverse coordination.

Endo- and exohedral chloro-fulleride as η5 ligands: A DFT study on the first-row transition metal complexes

2021 ◽  
Author(s):  
Sebastian Anila ◽  
Cherumuttathu Hariharan Suresh
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Dft Study ◽  
C60 Fullerene ◽  
Ring Fusion ◽  
Coordination Modes

C60 fullerene coordinates to transition metals in η2-fashion through its C-C bond at [6,6] ring fusion whereas other coordination modes η3, η4, η5 and η6 are rarely observed. The coordination...

Cooperative Catalysis of Combined Systems of Transition-Metal Complexes with Lewis Acids: Theoretical Understanding

2016 ◽  
Vol 16 (5) ◽  
pp. 2405-2425 ◽  
Author(s):  
Wei Guan ◽  
Guixiang Zeng ◽  
Hajime Kameo ◽  
Yoshiaki Nakao ◽  
Shigeyoshi Sakaki
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Lewis Acids ◽  
Theoretical Understanding ◽  
Cooperative Catalysis

Incorporation of Cyano Transition Metal Complexes in KCl Crystals—Experimental and Computational Studies

2003 ◽  
Vol 56 (7) ◽  
pp. 675 ◽  
Author(s):  
Damien J. Carter ◽  
Mark I. Ogden ◽  
Andrew L. Rohl
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Potassium Chloride ◽  
Transition Metal Complexes ◽  
Computational Modelling ◽  
Experimental Results ◽  
Computational Studies ◽  
Experimental Trend

Experimental and computational studies of the incorporation of hexacyanoferrate(II), hexacyanocobaltate(III), and hexacyanoferrate(III) into potassium chloride crystals are described. The experimental results showed that the extent of incorporation follows the trend hexacyanoferrate(II) » hexacyanoferrate(III) > hexacyanocobaltate(III). Computational modelling produced replacement energies that match the experimental trend. The calculated geometry of the incorporated complexes was also found to match well with previous experimental results.

Coordination Chemistry of N,N′-Bis(diphenylphosphanylmethyl)- 2,3-dihydro-1H-perimidine – Lewis Acid-Base Complexes with the d10-Metals Nickel(0) and Gold(I)

2014 ◽  
Vol 69 (11-12) ◽  
pp. 1299-1305 ◽  
Author(s):  
Sven Krieck ◽  
Daniel Schulze ◽  
Helmar Görls ◽  
Matthias Westerhausen
Keyword(s):  
Coordination Chemistry ◽  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Lewis Acid ◽  
Nickel Complexes ◽  
Nickel Atom ◽  
Addition Reactions ◽  
Acid Base ◽  
Tetrahedral Environment

Abstract The addition reactions of N,N′-bis(diphenylphosphanylmethyl)-2,3-dihydro-1H-perimidine (1) with [(cod)2Ni] and [(Ph3P)AuCl] yield yellow [(1)Ni(η4-cod)] (2) and colorless [(1)(Ph3P)AuCl]·3MeOH (3), respectively. In these transition metal complexes of nickel(0) and gold(I) 1 acts as a bidentate chelating ligand. Crystal structures of [(1)Ni(η4-cod)]·3THF (2a) and of cosolvent-free [(1)Ni(η4-cod)] (2) reveal a distorted tetrahedral environment of the nickel atom. The gold(I) atom in 3 exhibits a very long Au-Cl bond of 296.2(1) pm. In contrast to the nickel complexes, compound 3 shows strong agostic interactions between gold(I) and a methylene fragment.

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