Valence structural analysis of the metal-ligand bond in the {RuNO} 6 group

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Valence structural analysis of the metal-ligand bond in the {RuNO} ⁶ group. / Sizova, O. V.; Baranovskii, V. I.; Ivanova, N. V.; Sizov, V. V.; Ershov, A. Yu; Nikol'skii, A. B.

In: Russian Journal of General Chemistry, Vol. 72, No. 12, 01.12.2002, p. 1831-1839.

Research output: Contribution to journal › Article › peer-review

Author

Sizova, O. V. ; Baranovskii, V. I. ; Ivanova, N. V. ; Sizov, V. V. ; Ershov, A. Yu ; Nikol'skii, A. B. / Valence structural analysis of the metal-ligand bond in the {RuNO} ⁶ group. In: Russian Journal of General Chemistry. 2002 ; Vol. 72, No. 12. pp. 1831-1839.

BibTeX

@article{9917d212aebd471eba917f3d2fdcf333,

title = "Valence structural analysis of the metal-ligand bond in the {RuNO} 6 group",

abstract = "The electronic structure of complexes [Ru(XY)L5]q (L = NH3, CI-, CN-; XY = NO, CO, N2) was represented as a combination of valence schemes based on ab initio and semiempirical quantum-chemical calculations. It was found that schemes corresponding to a covalent π bond between Ru(III) and NO contribute most in the case of the complexes containing a {RuNO}3+ group, which makes possible the nitroso ligands in these compounds to be considered as uncharged NO molecules. The necessity of inclusion of electron correlation in the description of π interactions between the metal and ligands was shown.",

author = "Sizova, {O. V.} and Baranovskii, {V. I.} and Ivanova, {N. V.} and Sizov, {V. V.} and Ershov, {A. Yu} and Nikol'skii, {A. B.}",

year = "2002",

month = dec,

day = "1",

doi = "10.1023/A:1023411021225",

language = "English",

volume = "72",

pages = "1831--1839",

journal = "Russian Journal of General Chemistry",

issn = "1070-3632",

publisher = "МАИК {"}Наука/Интерпериодика{"}",

number = "12",

}

RIS

TY - JOUR

T1 - Valence structural analysis of the metal-ligand bond in the {RuNO} 6 group

AU - Sizova, O. V.

AU - Baranovskii, V. I.

AU - Ivanova, N. V.

AU - Sizov, V. V.

AU - Ershov, A. Yu

AU - Nikol'skii, A. B.

PY - 2002/12/1

Y1 - 2002/12/1

N2 - The electronic structure of complexes [Ru(XY)L5]q (L = NH3, CI-, CN-; XY = NO, CO, N2) was represented as a combination of valence schemes based on ab initio and semiempirical quantum-chemical calculations. It was found that schemes corresponding to a covalent π bond between Ru(III) and NO contribute most in the case of the complexes containing a {RuNO}3+ group, which makes possible the nitroso ligands in these compounds to be considered as uncharged NO molecules. The necessity of inclusion of electron correlation in the description of π interactions between the metal and ligands was shown.

AB - The electronic structure of complexes [Ru(XY)L5]q (L = NH3, CI-, CN-; XY = NO, CO, N2) was represented as a combination of valence schemes based on ab initio and semiempirical quantum-chemical calculations. It was found that schemes corresponding to a covalent π bond between Ru(III) and NO contribute most in the case of the complexes containing a {RuNO}3+ group, which makes possible the nitroso ligands in these compounds to be considered as uncharged NO molecules. The necessity of inclusion of electron correlation in the description of π interactions between the metal and ligands was shown.

UR - http://www.scopus.com/inward/record.url?scp=0037690330&partnerID=8YFLogxK

U2 - 10.1023/A:1023411021225

DO - 10.1023/A:1023411021225

M3 - Article

AN - SCOPUS:0037690330

VL - 72

SP - 1831

EP - 1839

JO - Russian Journal of General Chemistry

JF - Russian Journal of General Chemistry

SN - 1070-3632

IS - 12

ER -

ID: 34661540