Neutron and X-ray diffraction studies and DFT calculations of asymmetric Bis(silyl) niobocene hydrides

Konstantin Yu Dorogov; Elise Dumont; Nam Nhat Ho; Andrei V. Churakov; Lyudmila G. Kuzmina; Josep Maria Poblet; Arthur J. Schultz; Judith A.K. Howard; Robert Bau; Agusti Lledos; Georgii I. Nikonov

doi:10.1021/om034239a

Neutron and X-ray diffraction studies and DFT calculations of asymmetric Bis(silyl) niobocene hydrides

Konstantin Yu Dorogov, Elise Dumont, Nam Nhat Ho, Andrei V. Churakov, Lyudmila G. Kuzmina, Josep Maria Poblet, Arthur J. Schultz, Judith A.K. Howard, Robert Bau, Agusti Lledos, Georgii I. Nikonov

Department of Chemistry

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

25 Citations (Scopus)

Abstract

The first asymmetric bis(silyl) niobocene hydrides Cp 2Nb(SiHMe 2)H(SiXMe 2) (2: X = F (a), Cl (b), Br (c), I (d)), having interligand interactions Nb-H⋯ Si-X, were prepared by selective halogenation of the Si-H bond in Cp 2Nb(SiHMe 2) 2H. X-ray studies of 2b,c and a combined X-ray / neutron diffraction study of 2b establish a slightly stronger interaction of the niobium-bound hydride with the halosilyl ligand.

Original language	English
Pages (from-to)	2845-2847
Journal	Organometallics
Volume	23
Issue number	12
DOIs	https://doi.org/10.1021/om034239a
Publication status	Published - 7 Jun 2004

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title = "Neutron and X-ray diffraction studies and DFT calculations of asymmetric Bis(silyl) niobocene hydrides",

abstract = "The first asymmetric bis(silyl) niobocene hydrides Cp 2Nb(SiHMe 2)H(SiXMe 2) (2: X = F (a), Cl (b), Br (c), I (d)), having interligand interactions Nb-H⋯ Si-X, were prepared by selective halogenation of the Si-H bond in Cp 2Nb(SiHMe 2) 2H. X-ray studies of 2b,c and a combined X-ray / neutron diffraction study of 2b establish a slightly stronger interaction of the niobium-bound hydride with the halosilyl ligand.",

author = "Dorogov, {Konstantin Yu} and Elise Dumont and Ho, {Nam Nhat} and Churakov, {Andrei V.} and Kuzmina, {Lyudmila G.} and Poblet, {Josep Maria} and Schultz, {Arthur J.} and Howard, {Judith A.K.} and Robert Bau and Agusti Lledos and Nikonov, {Georgii I.}",

year = "2004",

month = jun,

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doi = "10.1021/om034239a",

language = "English",

volume = "23",

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journal = "Organometallics",

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TY - JOUR

T1 - Neutron and X-ray diffraction studies and DFT calculations of asymmetric Bis(silyl) niobocene hydrides

AU - Dorogov, Konstantin Yu

AU - Dumont, Elise

AU - Ho, Nam Nhat

AU - Churakov, Andrei V.

AU - Kuzmina, Lyudmila G.

AU - Poblet, Josep Maria

AU - Schultz, Arthur J.

AU - Howard, Judith A.K.

AU - Bau, Robert

AU - Lledos, Agusti

AU - Nikonov, Georgii I.

PY - 2004/6/7

Y1 - 2004/6/7

N2 - The first asymmetric bis(silyl) niobocene hydrides Cp 2Nb(SiHMe 2)H(SiXMe 2) (2: X = F (a), Cl (b), Br (c), I (d)), having interligand interactions Nb-H⋯ Si-X, were prepared by selective halogenation of the Si-H bond in Cp 2Nb(SiHMe 2) 2H. X-ray studies of 2b,c and a combined X-ray / neutron diffraction study of 2b establish a slightly stronger interaction of the niobium-bound hydride with the halosilyl ligand.

AB - The first asymmetric bis(silyl) niobocene hydrides Cp 2Nb(SiHMe 2)H(SiXMe 2) (2: X = F (a), Cl (b), Br (c), I (d)), having interligand interactions Nb-H⋯ Si-X, were prepared by selective halogenation of the Si-H bond in Cp 2Nb(SiHMe 2) 2H. X-ray studies of 2b,c and a combined X-ray / neutron diffraction study of 2b establish a slightly stronger interaction of the niobium-bound hydride with the halosilyl ligand.

U2 - 10.1021/om034239a

DO - 10.1021/om034239a

M3 - Article

SN - 0276-7333

VL - 23

SP - 2845

EP - 2847

JO - Organometallics

JF - Organometallics

IS - 12

ER -

Neutron and X-ray diffraction studies and DFT calculations of asymmetric Bis(silyl) niobocene hydrides

Abstract

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