Nature of M-Ga bonds in dihalogallyl complexes (η5-C5H5)(Me3P)2M(GaX2) (M = Fe, Ru, Os) and (η5-C5H5)(OC)2Fe(GaX2) (X = Cl, Br, I): a DFT study.

Nature of M-Ga bonds in dihalogallyl complexes (η5-C5H5)(Me3P)2M(GaX2) (M = Fe, Ru, Os) and (η5-C5H5)(OC)2Fe(GaX2) (X = Cl, Br, I): a DFT study.

Density functional theory (DFT) calculations have been performed on the terminal dihalogallyl complexes of iron, ruthenium, and osmium (η(5)-C(5)H(5))(Me(3)P)(2)M(GaX(2)) (M = Fe, Ru, Os; X = Cl, Br, I) and (η(5)-C(5)H(5))(OC)(2)Fe(GaX(2)) (X = Cl, Br, I) at the BP86/TZ2P/ZORA level of theory. On th...

Disgrifiad llawn

Manylion Llyfryddiaeth
Prif Awduron:	Pandey, K, Patidar, P, Aldridge, S
Fformat:	Journal article
Iaith:	English
Cyhoeddwyd:	2010

Eitemau Tebyg

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Stable GaX2, InX2 and TlX2 radicals.
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Probing Conformational Strain in Multinuclear Lewis Acids: Synthesis, Spectroscopic and Structural Characterization of the Dinuclear Ferroceneboronic Ester (η5-C5H5)Fe(η5-C5H4)BO2C5H8O2B(η5-C5H4)Fe(η5-C5H5)
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Crystal structure of [{(η5-C5Me5)Fe(CO)2In(C6H2But 3-2,4,6)}2(μ-F)]+(BF4)-·3CH2Cl2
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Crystal structure of (hydrido)(η3 -butenyl)bis(η5 -pentamethylcyclopentadienyl) zirconium, Zr(C4H7) [C5(CH3)5]2(H)
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Crystal structure of (hydrido)(η3-butenyl)bis(η5-pentamethylcyclopentadienyl) zirconium, Zr(C4H7)[C5(CH3)5]2(H)
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Charge Transport and Thermo-emf in TlFe1−xGaxS2 Solid Solutions
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Crystal structure of (η5-pentamethylcyclopentadienyl)(η5-1-(2,2-dimethylpropyl) cyclopentadienyl)titaniumdichloride, C20H30Cl2Ti
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Crystal structure of (η5-pentamethylcyclopentadienyl)(η5-1-(2,2-dimethylpropyl) cyclopentadienyl)titaniumdichloride, C20H30Cl2Ti
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Probing Conformational Strain in Multinuclear Lewis Acids: Synthesis, Spectroscopic and Structural Characterization of the Dinuclear Ferroceneboronic Ester (eta(5)-C5H5)Fe(eta(5)-C5H4)BO2C5H8O2B(eta(5)-C5H4)Fe(eta(5)-C5H5)
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Effect of Ga composition on soft and high-frequency magnetic properties of Fe85.1−xGaxB14.9 thin films
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Crystal structure of [(E)-2-(2-((2,6-dimethylphenylimino)- (phenyl)methyl)-η5-cyclopentadienylamino)-3H-phenoxazin-3-one]- (η5- pentamethylcyclopentadienyl)ruthenium(II) — ethanol (1:0.5), Ru(C10H15)(C32H24N3O2) · 0.5C2H6O
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Crystal structure of chlorobis(η5-pentamethylcyclopentadienyl)(η1- 2-propenyl)zirconium, C23H35ClZr
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