Synthesis and characterization of the face-sharing bioctahedral [Mo 2O6F3]3- anion

Janet E. Kirsch; Heather K. Izumi; Charlotte L. Stern; Kenneth R. Poeppelmeier

doi:10.1021/ic0502877

Synthesis and characterization of the face-sharing bioctahedral [Mo ₂O₆F₃]^3- anion

Janet E. Kirsch, Heather K. Izumi, Charlotte L. Stern, Kenneth R. Poeppelmeier

Northwestern University

Research output: Contribution to journal › Article

19 Citations (Scopus)

Abstract

The face-sharing bioctahedral molybdenum(VI) oxide fluoride anion [Mo ₂O₆F₃]^3- has been isolated in the new compound [Cu(3-apy)₄]₃(Mo₂O ₆F₃)₂ (3-apy = 3-aminopyridine) and has been characterized by experimental and computational techniques. Single-crystal X-ray diffraction studies show that the structure of the [Mo₂O ₆F₃]^3- anion resembles two distorted face-sharing octahedra, each with three short terminal metal-ligand bonds and three long metal-ligand-metal bridging interactions. Aspects of the electronic structure, as well as geometric comparisons of the bond lengths and angles in [Mo₂O₆F₃]^3- with those in the similarly distorted [MoO₃F₃]^3- anion, suggest that the six terminal ligand positions of the confacial bioctahedra are occupied exclusively by oxide ligands and that the three bridging sites are occupied by fluorides. Crystal data for [Cu(3-apy)₄]₃(Mo ₂O₆F₃)₂: trigonal space group R3 (No. 148) with hexagonal axes of a = 13.881(1) Å and c = 31.783(3) Å (Z = 3).

Original language	English
Pages (from-to)	4586-4593
Number of pages	8
Journal	Inorganic Chemistry
Volume	44
Issue number	13
DOIs	https://doi.org/10.1021/ic0502877
Publication status	Published - Jun 27 2005

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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Kirsch, J. E., Izumi, H. K., Stern, C. L., & Poeppelmeier, K. R. (2005). Synthesis and characterization of the face-sharing bioctahedral [Mo ₂O₆F₃]^3- anion. Inorganic Chemistry, 44(13), 4586-4593. https://doi.org/10.1021/ic0502877

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title = "Synthesis and characterization of the face-sharing bioctahedral [Mo 2O6F3]3- anion",

abstract = "The face-sharing bioctahedral molybdenum(VI) oxide fluoride anion [Mo 2O6F3]3- has been isolated in the new compound [Cu(3-apy)4]3(Mo2O 6F3)2 (3-apy = 3-aminopyridine) and has been characterized by experimental and computational techniques. Single-crystal X-ray diffraction studies show that the structure of the [Mo2O 6F3]3- anion resembles two distorted face-sharing octahedra, each with three short terminal metal-ligand bonds and three long metal-ligand-metal bridging interactions. Aspects of the electronic structure, as well as geometric comparisons of the bond lengths and angles in [Mo2O6F3]3- with those in the similarly distorted [MoO3F3]3- anion, suggest that the six terminal ligand positions of the confacial bioctahedra are occupied exclusively by oxide ligands and that the three bridging sites are occupied by fluorides. Crystal data for [Cu(3-apy)4]3(Mo 2O6F3)2: trigonal space group R3 (No. 148) with hexagonal axes of a = 13.881(1) {\AA} and c = 31.783(3) {\AA} (Z = 3).",

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N2 - The face-sharing bioctahedral molybdenum(VI) oxide fluoride anion [Mo 2O6F3]3- has been isolated in the new compound [Cu(3-apy)4]3(Mo2O 6F3)2 (3-apy = 3-aminopyridine) and has been characterized by experimental and computational techniques. Single-crystal X-ray diffraction studies show that the structure of the [Mo2O 6F3]3- anion resembles two distorted face-sharing octahedra, each with three short terminal metal-ligand bonds and three long metal-ligand-metal bridging interactions. Aspects of the electronic structure, as well as geometric comparisons of the bond lengths and angles in [Mo2O6F3]3- with those in the similarly distorted [MoO3F3]3- anion, suggest that the six terminal ligand positions of the confacial bioctahedra are occupied exclusively by oxide ligands and that the three bridging sites are occupied by fluorides. Crystal data for [Cu(3-apy)4]3(Mo 2O6F3)2: trigonal space group R3 (No. 148) with hexagonal axes of a = 13.881(1) Å and c = 31.783(3) Å (Z = 3).

AB - The face-sharing bioctahedral molybdenum(VI) oxide fluoride anion [Mo 2O6F3]3- has been isolated in the new compound [Cu(3-apy)4]3(Mo2O 6F3)2 (3-apy = 3-aminopyridine) and has been characterized by experimental and computational techniques. Single-crystal X-ray diffraction studies show that the structure of the [Mo2O 6F3]3- anion resembles two distorted face-sharing octahedra, each with three short terminal metal-ligand bonds and three long metal-ligand-metal bridging interactions. Aspects of the electronic structure, as well as geometric comparisons of the bond lengths and angles in [Mo2O6F3]3- with those in the similarly distorted [MoO3F3]3- anion, suggest that the six terminal ligand positions of the confacial bioctahedra are occupied exclusively by oxide ligands and that the three bridging sites are occupied by fluorides. Crystal data for [Cu(3-apy)4]3(Mo 2O6F3)2: trigonal space group R3 (No. 148) with hexagonal axes of a = 13.881(1) Å and c = 31.783(3) Å (Z = 3).

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