Non-covalent interactions in coinage metal complexes of 1,2,4-triazole-based N-heterocyclic carbenes

2014 ◽  
Vol 43 (41) ◽  
pp. 15465-15474 ◽  
Author(s):  
Jan Turek ◽  
Illia Panov ◽  
Petr Švec ◽  
Zdeňka Růžičková ◽  
Aleš Růžička
Keyword(s):  
Metal Complexes ◽  
Heterocyclic Carbenes ◽  
Coinage Metal ◽  
Complete Series ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Non-covalent interactions were revealed in the complete series of coinage metal complexes of the type (NHC)MX (M = Cu, Ag, Au; X = Cl, Br, I) bearing 1,2,4-triazole based NHCs.

scholarly journals 1,3,5-Triaza-7-Phosphaadamantane (PTA) as a 31P NMR Probe for Organometallic Transition Metal Complexes in Solution

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1390 ◽  
Author(s):  
Ilya G. Shenderovich
Keyword(s):  
Chemical Shift ◽  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Density Functional ◽  
Molecular Structures ◽  
Basis Sets ◽  
Functional Theory ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Due to the rigid structure of 1,3,5-triaza-7-phosphaadamantane (PTA), its 31P chemical shift solely depends on non-covalent interactions in which the molecule is involved. The maximum range of change caused by the most common of these, hydrogen bonding, is only 6 ppm, because the active site is one of the PTA nitrogen atoms. In contrast, when the PTA phosphorus atom is coordinated to a metal, the range of change exceeds 100 ppm. This feature can be used to support or reject specific structural models of organometallic transition metal complexes in solution by comparing the experimental and Density Functional Theory (DFT) calculated values of this 31P chemical shift. This approach has been tested on a variety of the metals of groups 8–12 and molecular structures. General recommendations for appropriate basis sets are reported.

scholarly journals N-Heterocyclic carbenes on close-packed coinage metal surfaces: bis-carbene metal adatom bonding scheme of monolayer films on Au, Ag and Cu

2017 ◽  
Vol 8 (12) ◽  
pp. 8301-8308 ◽  
Author(s):  
Li Jiang ◽  
Bodong Zhang ◽  
Guillaume Médard ◽  
Ari Paavo Seitsonen ◽  
Felix Haag ◽  
...  
Keyword(s):  
Metal Complexes ◽  
Metal Surfaces ◽  
Heterocyclic Carbenes ◽  
Solid Surfaces ◽  
Monolayer Films ◽  
Coinage Metal ◽  
Bonding Scheme ◽  
Group 11 Metals

N-Heterocyclic carbenes wet the solid surfaces of group 11 metals with energetically favourable electron donating biscarbene metal complexes.

scholarly journals Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes

2018 ◽  
Vol 47 (31) ◽  
pp. 10671-10684 ◽  
Author(s):  
Fady Nahra ◽  
Kristof Van Hecke ◽  
Alan R. Kennedy ◽  
David J. Nelson
Keyword(s):  
Coordination Chemistry ◽  
Metal Complexes ◽  
Heterocyclic Carbenes ◽  
Coinage Metal

The coordination chemistry of selenoureas derived from N-heterocyclic carbenes with copper and silver is explored, and compared to previous work with gold.

Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand

CrystEngComm ◽  
2015 ◽  
Vol 17 (25) ◽  
pp. 4680-4690 ◽  
Author(s):  
Prateeti Chakraborty ◽  
Suranjana Purkait ◽  
Sandip Mondal ◽  
Antonio Bauzá ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Schiff Base ◽  
Metal Complexes ◽  
Schiff Base Ligand ◽  
Self Assembly ◽  
The Self ◽  
Schiff Base Complexes ◽  
Π Interactions ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The role of non-covalent interactions in the self-assembly of Schiff-base complexes of ZnII, CuII and NiII has been investigated experimentally and theoretically with especial attention to unconventional C–H⋯π interactions involving pseudohalide coligands.

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