Theoretical study of the electron structure and properties of dithiocarbamates and their complexes with transition metals

1984 ◽  
Vol 49 (12) ◽  
pp. 2744-2750 ◽  
Author(s):  
Stanislav Miertuš ◽  
Vladimír Frecer
Keyword(s):  
Transition Metals ◽  
Theoretical Study ◽  
Electron Structure ◽  
Structure And Properties ◽  
Spin Multiplicity ◽  
Model Complexes ◽  
Oxidation Reduction ◽  
Bonding Properties ◽  
Derivatives Of

The semiempirical CNDO/2 method was used to calculate the electron structure of derivatives of dithiocarbamates, R2N-CS2, as anions and radicals. We studied changes in the oxidation-reduction and bonding properties by changes of R = H, CH2, C2H5, C3H5. Calculations were also carried out on model complexes of R2N-CS2 with metals Cu, Mn, Fe, Co, Ni. Differences in the electron structure of these complexes with various numbers of ligands, various states of oxidation and varying spin multiplicity of the central atoms were evaluated.

METALLOCENE CHEMISTRY—A DECADE OF PROGRESS

1963 ◽  
Vol 41 (5) ◽  
pp. 1289-1314 ◽  
Author(s):  
M. D. Rausch
Keyword(s):  
Transition Metals ◽  
Arene Complexes ◽  
Aromatic System ◽  
Substitution Reactions ◽  
The Past ◽  
Orientation Effects ◽  
Oxidation Reduction ◽  
Carbonium Ions ◽  
Rearrangement Reactions ◽  
Derivatives Of

One of the most significant new frontiers in chemistry during the past decade has been the stabilization and study of π-organic derivatives of the transition metals. Over 60 elements are now known to form one or more cyclopentadienyl compounds. The aromatic-type reactions displayed by ferrocene and related complexes have also been extensively investigated. Ferrocene will undergo alkylation, acylation, sulphonation, metalation, arylation, formylation, aminomethylation, and other reactions characteristic of a highly reactive aromatic system. π-Cyclopentadienyl derivatives of vanadium, chromium, manganese, ruthenium, and osmium as well as certain π-arene complexes of chromium exhibit ring substitution reactions in varying degrees. Other metallocenes undergo ring addition reactions.The orientation effects of substituents on reactions of substituted ferrocenes have been studied. A variety of unique oxidation, reduction, dehydration, and rearrangement reactions are known in metallocene chemistry. Haloferrocenes and mercuriferrocenes are readily converted to biferrocenyl. Recent rate investigations have established that carbonium ions adjacent to metallocene nuclei possess unusual stabilization as a result of direct metal participation.

Theoretical study of the structure and properties of Ni/V porphyrins under microwave electric field: A DFT study

Fuel ◽  
2020 ◽  
Vol 278 ◽  
pp. 118305
Author(s):  
Yuting Li ◽  
Hui Shang ◽  
Qi Zhang ◽  
Mostafa Elabyouki ◽  
Wenhui Zhang
Keyword(s):  
Electric Field ◽  
Theoretical Study ◽  
Dft Study ◽  
Structure And Properties

Carbonyl halides of the Group VI transition metals. XI. Dithiocyanatocarbonyl derivatives of molybdenum and tungsten(II)

1968 ◽  
Vol 21 (6) ◽  
pp. 1435 ◽  
Author(s):  
R Colton ◽  
GR Scollary
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Ammonium Chloride ◽  
Pure State ◽  
Ammonium Thiocyanate ◽  
Donor Ligands ◽  
Group Vi ◽  
Derivatives Of ◽  
And Tungsten

Reaction of ammonium thiocyanate with dihalocarbonyls of molybdenum and tungsten(11) leads to the elimination of ammonium chloride and the formation of a dithiocyanatocarbonyl complex of the transition metal. Although the thiocyanatocarbonyls themselves have not been isolated in a pure state, a number of substituted derivatives with phosphorus donor ligands have been prepared and characterized. In general these complexes are less stable than the corresponding carbonyl halide derivatives.

Organometalloidal derivatives of the transition metals

1992 ◽  
Vol 430 (3) ◽  
pp. 273-286 ◽  
Author(s):  
Antonio Guerrero ◽  
Jacobo Gómez-Lara ◽  
Jorge Cervantes ◽  
Luis Velasco ◽  
Hemant Sharma ◽  
...  
Keyword(s):  
Transition Metals ◽  
Derivatives Of

ChemInform Abstract: NEW METHOD FOR SYNTHESIZING METALLOORGANIC DERIVATIVES OF TRANSITION METALS IN THE LOWEST DEGREES OF OXIDATION

1978 ◽  
Vol 9 (4) ◽  
Author(s):  
S. I. BEILIN ◽  
S. B. GOL'SHTEIN ◽  
B. A. DOLGOPLOSK ◽  
A. M. KRAPIVIN ◽  
E. I. TINYAKOVA ◽  
...  
Keyword(s):  
Transition Metals ◽  
New Method ◽  
Derivatives Of
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