Synthesis and Structural Diversity of Main Group Metal Coordination Complexes Constructed from V-Shape Bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane Ligands

2018 ◽  
Vol 3 (17) ◽  
pp. 4811-4817 ◽  
Author(s):  
Meiling Cheng ◽  
Jinting Bao ◽  
Yujuan Wu ◽  
Bingxin Yang ◽  
Qinghua Wang ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Structural Diversity ◽  
Coordination Complexes ◽  
Main Group ◽  
Metal Coordination ◽  
Group Metal ◽  
Main Group Metal

Three main group metal coordination polymers built by 2-propyl-1H-imidazole-4,5-dicarboxylate

2011 ◽  
Vol 377 (1) ◽  
pp. 42-49 ◽  
Author(s):  
Zifeng Li ◽  
Changjun Chen ◽  
Lihua Yan ◽  
Gang Li ◽  
Chaojun Wu ◽  
...  
Keyword(s):  
Coordination Polymers ◽  
Main Group ◽  
Metal Coordination ◽  
Group Metal ◽  
Main Group Metal ◽  
Metal Coordination Polymers

Bis(benzoxazol-2-yl)methanes Hounding NacNac: Varieties and Applications in Main Group Metal Coordination

2019 ◽  
Vol 2019 (28) ◽  
pp. 3258-3264 ◽  
Author(s):  
Johannes Kretsch ◽  
Ingo Koehne ◽  
Märt Lõkov ◽  
Ivo Leito ◽  
Dietmar Stalke
Keyword(s):  
Main Group ◽  
Metal Coordination ◽  
Group Metal ◽  
Main Group Metal

Reversible Addition of Carbon Dioxide to Main Group Metal Complexes at Temperatures about 0 °C

2021 ◽  
Author(s):  
Tatyana S. Koptseva ◽  
Vladimir G. Sokolov ◽  
Sergey Yu. Ketkov ◽  
Elena A. Rychagova ◽  
Anton V. Cherkasov ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Metal Complexes ◽  
Main Group ◽  
Group Metal ◽  
Reversible Addition ◽  
Main Group Metal

Effect of delocalization of nonbonding electron density on the stability of the M–Ccarbene bond in main group metal-imidazol-2-ylidene complexes: a computational and structural database study

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Samuel Tetteh ◽  
Albert Ofori
Keyword(s):  
Electron Density ◽  
Lone Pair ◽  
Main Group ◽  
Binding Energies ◽  
Electrostatic Model ◽  
Group Metal ◽  
Main Group Metal ◽  
Structural Database ◽  
The Stability ◽  
Lone Pair Electrons

Abstract The M–Ccarbene bond in metal (M) complexes involving the imidazol-2-ylidene (Im) ligand has largely been described using the σ-donor only model with donation of σ electrons from the sp-hybridized orbital of the carbene carbon into vacant orbitals on the metal centre. Analyses of the M–Ccarbene bond in a series of group IA, IIA and IIIA main group metal complexes show that the M-Im interactions are mostly electrostatic with the M–Ccarbene bond distances greater than the sum of the respective covalent radii. Estimation of the binding energies of a series of metal hydride/fluoride/chloride imidazol-2-ylidene complexes revealed that the stability of the M–Ccarbene bond in these complexes is not always commensurate with the σ-only electrostatic model. Further natural bond orbital (NBO) analyses at the DFT/B3LYP level of theory revealed substantial covalency in the M–Ccarbene bond with minor delocalization of electron density from the lone pair electrons on the halide ligands into antibonding molecular orbitals on the Im ligand. Calculation of the thermodynamic stability of the M–Ccarbene bond showed that these interactions are mostly endothermic in the gas phase with reduced entropies giving an overall ΔG > 0.

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