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Article
Palladium acetate complexes in the gas phase
New palladium acetate complexes, Pd2(OOCMe) 4 + , Pd2(OOCMe) 3 + , Pd2(OOCMe) 2 ...
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Article
Unusual sandwich platinum(II) complex: [Pt(phen)2]2+ cation between two Pt(phen)(OOCMe)2 molecules
New carboxylate platinum(II) complexes: syn and anti isomers of Pt(phen)(OOCMe)2 molecular complex, [Pt(phen)(NCMe)2](O3SCF3)2, as well as unusual sandwich complex [Pt(phen)2]2+ · 2syn-[Pt(phen)(OOCMe)2] where [P...
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Article
On the nature of the chemical bond in heterobimetallic palladium(II) complexes with divalent 3d metals
The complex Pd(μ-OOCMe)4Cu(OH2) · 2Pd3(μ-OOCMe)6 was synthesized and characterized by X-ray crystallography. In the heterometallic moiety of this complex, the PdII and CuII atoms are at an extraordinary short dis...
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Article
Replacement of Fe atoms by Ru in a carbidocarbonyl cluster [Fe6C(CO)16]2−. Structures of reaction products
The reaction of the carbidocarbonyl cluster [Fe6C(CO)16]2− with ruthenium(IV) hydroxochloride Ru(OH)Cl3 was studied. At 90–100 °C, the reaction gave products of replacement of Fe atoms by Ru in the [Fe6C(CO)16]2−
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Article
Analysis of chiroptical properties of π-allyl complex [Pd(β-pinenyl)Cl]2
Electronic absorption and circular dichroism spectra of the optically active [Pd(β-pincnyl)Cl]2 complex (1) have been studied. The assignment of the bands in the circular dichroism spectrum in the d—d-transition ...
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Article
Correlation between stereochemistry and sign of cotton effects for degenerate transitions in spectra of binuclear clusters of molybdenum(II)
A correlation between the stereochemistry and sign of the Cotton effect for π → δ* transition in the spectra of dimolybdenum tetracarboxylates and related compounds has been accomplished by constructing, within t...
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Article
Correlation between the stereochemistry and optical activity of chiral dimolybdenum tetracarboxylates and related compounds
Sector rules for chiral dimolybdenum tetracarboxylates and related compounds were derived using the “one-electron model” of optical activity. The correlation between the sign of the Cotton effect (CE) of the δ→δ*
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Article
Electronic structure of a ruthenium dimer
The electronic structure of a ruthenium dimer is calculated by SW-Xα. The configuration lσg2πu 4δg 4δu 42σg2, corresponding to a quadruple bond and an equilibrium distance of 1.94 A are found. Ionization potentia...
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Article
Calculation of the ionization potentials of transition-metal dimers by the discrete-variation-Xα method
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Article
The chemical bond in dimers of group V and group VII transition metals
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Article
Electron structure of the V2 molecule derived from DV-Xα data
The electron structure of the V2 molecule has been calculated by means of the DV-Xα method. The configuration 3πu 46σg 27σg 2(lδg↑)2 has been obtained for the ground state, which corresponds to a quintuple bond, ...
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Article
Molecular geometry
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Article
Molecular geometry
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Article
Approximation methods for calculation of integrals containing the two-center distribution < ϕ a ′ ϕb|
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Article
Approximate methods of calculating integrals containing a two-centered distribution |ϕa′ϕb>