Strong stacking interactions at large horizontal displacements of tropylium and cyclooctatetraenide ligands of transition metal complexes: crystallographic and DFT study

CrystEngComm ◽  
2020 ◽  
Vol 22 (22) ◽  
pp. 3831-3839 ◽  
Author(s):  
Dušan P. Malenov ◽  
Snežana D. Zarić
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Transition Metal Complexes ◽  
Dft Study ◽  
Stacking Interactions ◽  
Horizontal Displacements

Large offset stacking of tropylium and COT ligands, which is dominant in crystal structures, surpasses an energy of −3.0 kcal mol−1.

Stacking interactions of the methylated cyclopentadienyl ligands in the crystal structures of transition metal complexes

2020 ◽  
Vol 76 (2) ◽  
pp. 252-258 ◽  
Author(s):  
Dušan P. Malenov ◽  
Jelena P. Blagojević Filipović ◽  
Snežana D. Zarić
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Transition Metal Complexes ◽  
Electrostatic Potential ◽  
Stacking Interactions ◽  
Cyclopentadienyl Ligands ◽  
Π Interactions ◽  
Structural Database ◽  
Oppositely Charged

In the crystal structures of methylated cyclopentadienyl (Cp) complexes (MeCp, Me4Cp and Me5Cp) deposited in the Cambridge Structural Database, certain orientation types of stacked contacts can be noted as the most frequent. These orientation preferences can be well explained by the matching of oppositely charged regions of electrostatic potential. Parallel displaced stacking, large offset stacking and C—H...π interactions are the dominant interaction types that are responsible for the arrangement in the crystal structures of stacked methylated Cp complexes.

Evidence of Chelate−Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes

2010 ◽  
Vol 10 (9) ◽  
pp. 3901-3908 ◽  
Author(s):  
Dušan N. Sredojević ◽  
Zoran D. Tomić ◽  
Snežana D. Zarić
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Transition Metal Complexes ◽  
Stacking Interactions

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...

Syntheses and Crystal Structures of Two New Pentaborates Templated by Transition-Metal Complexes

2014 ◽  
Vol 25 (5) ◽  
pp. 1295-1305 ◽  
Author(s):  
Qin Meng ◽  
Guo-Ming Wang ◽  
Huan He ◽  
Bai-Feng Yang ◽  
Guo-Yu Yang
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Transition Metal Complexes
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