Structure and bonding in binuclear metal carbonyls. Classical paradigms vs. insights from modern theoretical calculations

2015 ◽  
Vol 1053 ◽  
pp. 195-213 ◽  
Author(s):  
Robert Ponec
Keyword(s):  
Theoretical Calculations ◽  
Metal Carbonyls ◽  
Structure And Bonding ◽  
Binuclear Metal

Binuclear metal carbonyls: molecular structure of .mu.-chloro-.mu.-(diphenylphosphido)-hexacarbonyldiiron(Fe-Fe)

1980 ◽  
Vol 19 (2) ◽  
pp. 560-562 ◽  
Author(s):  
Nicholas J. Taylor ◽  
Graham N. Mott ◽  
Arthur J. Carty
Keyword(s):  
Molecular Structure ◽  
Metal Carbonyls ◽  
Binuclear Metal

P2S2-Bridged binuclear metal carbonyls from dimerization of coordinated thiophosphoryl groups: a theoretical study

2020 ◽  
Vol 44 (30) ◽  
pp. 12942-12948
Author(s):  
Zhong Zhang ◽  
Zuqing Chen ◽  
Zhipeng Yang ◽  
Jianping Wang ◽  
Liang Pu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Theoretical Studies ◽  
Metal Carbonyls ◽  
Binuclear Metal

Theoretical studies indicate the complexes M(CO)n(PS) with bent 1-e/2-e donor PS groups to be unstable for giving the stable M(CO)n−1(PS) with linear 3-e donor PS groups. In addition, only Mn2(CO)8(P2S2) is energetically viable from the Mn(CO)4(PS).

Elucidating the crystal structure of the antimalarial drug (±)-mefloquine hydrochloride: a tetragonal hydrated species

2014 ◽  
Vol 47 (4) ◽  
pp. 1380-1386 ◽  
Author(s):  
Vânia Mendes do Prado ◽  
Rafael Cardoso Seiceira ◽  
Altivo Pitaluga Jr ◽  
Tarciso Andrade-Filho ◽  
Wendel Andrade Alves ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Fourier Transform ◽  
Biological Activity ◽  
Infrared Spectroscopy ◽  
Antimalarial Drug ◽  
Theoretical Calculations ◽  
Active Pharmaceutical Ingredient ◽  
Hydrated Form ◽  
X Ray ◽  
Structure And Bonding

Albeit widely studied, the structure of the antimalarial drug (±)-mefloquine hydrochloride is still a controversial issue. A combination of X-ray powder diffraction, theoretical calculations and Fourier transform–infrared spectroscopy is used to unambiguously determine the crystal structure of the molecule in its active pharmaceutical ingredient. It is demonstrated that water is incorporated into the structure, leading to a hydrated form and, most importantly, to significant differences in both structure and bonding. Such changes can lead to significant differences in biological activity.

Reaction of thulium(0) with binuclear metal carbonyls

1982 ◽  
Vol 31 (11) ◽  
pp. 2323-2323
Author(s):  
Ya. A. Nuriev ◽  
L. F. Rybakova ◽  
A. A. Pasynskii ◽  
G. Z. Suleimanov ◽  
S. P. Gubin ◽  
...  
Keyword(s):  
Metal Carbonyls ◽  
Binuclear Metal
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