Theoretical Study of Inverted Sandwich Type Complexes of 4d Transition Metal Elements: Interesting Similarities to and Differences from 3d Transition Metal Complexes

2012 ◽  
Vol 116 (9) ◽  
pp. 2292-2299 ◽  
Author(s):  
Yusaku I. Kurokawa ◽  
Yoshihide Nakao ◽  
Shigeyoshi Sakaki
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Theoretical Study ◽  
Metal Elements ◽  
Sandwich Type ◽  
Transition Metal Elements

scholarly journals CASPT2 study of inverse sandwich-type dinuclear 3d transition metal complexes of ethylene and dinitrogen molecules: similarities and differences in geometry, electronic structure, and spin multiplicity

2015 ◽  
Vol 17 (25) ◽  
pp. 16294-16305 ◽  
Author(s):  
Masayuki Nakagaki ◽  
Shigeyoshi Sakaki
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Spin Multiplicity ◽  
Metal Elements ◽  
Sandwich Type ◽  
Similarities And Differences ◽  
Transition Metal Elements

The spin multiplicities and coordination structures of inverse sandwich-type complexes of ethylene and dinitrogen molecules with 3d transition metal elements (Sc to Ni) were investigated by the CASPT2 method.

scholarly journals Inverted-sandwich-type and open-lantern-type dinuclear transition metal complexes: theoretical study of chemical bonds by electronic stress tensor

2011 ◽  
Vol 130 (2-3) ◽  
pp. 237-250 ◽  
Author(s):  
Kazuhide Ichikawa ◽  
Ayumu Wagatsuma ◽  
Yusaku I. Kurokawa ◽  
Shigeyoshi Sakaki ◽  
Akitomo Tachibana
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Stress Tensor ◽  
Transition Metal Complexes ◽  
Theoretical Study ◽  
Chemical Bonds ◽  
Sandwich Type

Formation of metal-radical species upon reduction of late transition metal complexes with heteroleptic ligands: an experimental and theoretical study

2020 ◽  
Vol 44 (30) ◽  
pp. 13195-13206
Author(s):  
Michal Malček ◽  
Júlia Kožíšková ◽  
Peter Herich ◽  
Peter Rapta ◽  
Iryna Stepanenko ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Broad Spectrum ◽  
Theoretical Study ◽  
Late Transition Metal ◽  
Radical Species ◽  
Broad Spectrum Antibiotics ◽  
Late Transition ◽  
Metal Radical

Three novel transition metal complexes with selenadiazoloquinolones as potential broad spectrum antibiotics in clinical praxis.

scholarly journals Half- and mixed-sandwich metallacarboranes for potential applications in medicine

2019 ◽  
Vol 91 (4) ◽  
pp. 563-573 ◽  
Author(s):  
Marta Gozzi ◽  
Benedikt Schwarze ◽  
Evamarie Hey-Hawkins
Keyword(s):  
Organic Chemistry ◽  
Transition Metal ◽  
Transition Metals ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Structural Features ◽  
Biological Stability ◽  
Potential Applications ◽  
Sandwich Type ◽  
Isolobal Analogy

Abstract Today, medicinal chemistry is still clearly dominated by organic chemistry, and commercially available boron-based drugs are rare. In contrast to hydrocarbons, boranes prefer the formation of polyhedral clusters via delocalized 3c2e bonds, such as polyhedral dicarba-closo-dodecaborane(12) (closo-C2B10H12). These clusters have remarkable biological stability, and the three isomers, 1,2- (ortho), 1,7- (meta), and 1,12-dicarba-closo-dodecaborane(12) (para), have attracted much interest due to their unique structural features. Furthermore, anionic nido clusters ([7,8-C2B9H11]2−), derived from the neutral icosahedral closo cluster 1,2-dicarba-closo-dodecaborane(12) by deboronation followed by deprotonation are suitable ligands for transition metals and offer the possibility to form metallacarboranes, for example via coordination through the upper pentagonal face of the cluster. The isolobal analogy between the cyclopentadienyl(–1) ligand (Cp−) and [C2B9H11]2− clusters (dicarbollide anion, Cb2−) is the motivation in using Cb2− as ligand for coordination to a metal center to design compounds for various applications. This review focuses on potential applications of half- and mixed-sandwich-type transition metal complexes in medicine.

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