Structural aspects and solution dynamics of the auraferraboranes [Fe4(CO)12Au2L2BH]

The crystal structures of [Fe4(CO)12Au2{P(p-MeC6H 4)3}2BH]·CH2Cl2 and [HFe4(CO)12Au2{PEt3}2B]

Catherine E. Housecroft, Musa S. Shongwe, Arnold L. Rheingold

Research output: Contribution to journalArticle

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Abstract

Six new auraferraboranes of the general formula [Fe4(CO)12Au2LL′BH] (L = L′ = P(c-C6H11)3, P(p-MeC6H4)3, PMePh2, PMe2Ph, PMe3; L = PMePh2, L′ = PMe2Ph) have been prepared. Two structural types are represented, one in which the endo-hydrogen atom bridges an Fe-B edge (structure I) and one in which it bridges an Fe-Fe edge (structure II). The change in hydrogen atom location is accompanied by a rearrangement of the gold(I) phosphine moieties and a reorientation of one iron tricarbonyl unit, while essentially retaining a constant Fe4B framework. The crystal structures of two compounds, [Fe4-(CO)12Au2{P(p-C6H 4)3)2BH]·CH2Cl2 (1) and [HFe4(CO)12Au2{PEt3}2B] (2), are reported, the former being representative of structure I and the latter of structure II. 1: monoclinic, P21/n; a = 20.891 (6), b = 13.367 (4), c = 23.441 (7) Å; β= 110.82 (3)°; V = 6118 (4) Å3; Z = 4; R(F) = 6.39%. 2: monoclinic, I2/a; a = 17.783 (5), b = 11.277 (3), c = 18.084 (7) Å; β = 106.26 (3)°; V = 3481.3 (17) Å3; Z = 4; R(F) = 4.75%. The structure of 1 is similar to that of the related cluster [Fe4(CO)12Au2{PPh3}2BH] (3). In solution, a lig-and-dependent equilibrium exists between structures I and II for the clusters [Fe4(CO)12Au2LL′BH]. The factors that control the dominance of structure I or II for a particular phosphine ligand have been investigated, and the interplay of steric and electronic effects has been assessed. Electronic factors appear to drive the gold(I) phosphine groups to interact with Fe-B rather than Fe-Fe edges of the cluster, while steric factors dictate the actual Fe4Au2B core geometry.

Original languageEnglish
Pages (from-to)2651-2658
Number of pages8
JournalOrganometallics
Volume8
Issue number11
Publication statusPublished - 1989

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phosphine
Carbon Monoxide
phosphines
Crystal structure
crystal structure
hydrogen atoms
gold
Gold
Hydrogen
retaining
electronics
retraining
Atoms
iron
ligands
geometry
Iron
Ligands
Geometry

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Organic Chemistry

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Structural aspects and solution dynamics of the auraferraboranes [Fe4(CO)12Au2L2BH] : The crystal structures of [Fe4(CO)12Au2{P(p-MeC6H 4)3}2BH]·CH2Cl2 and [HFe4(CO)12Au2{PEt3}2B]. / Housecroft, Catherine E.; Shongwe, Musa S.; Rheingold, Arnold L.

In: Organometallics, Vol. 8, No. 11, 1989, p. 2651-2658.

Research output: Contribution to journalArticle

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title = "Structural aspects and solution dynamics of the auraferraboranes [Fe4(CO)12Au2L2BH]: The crystal structures of [Fe4(CO)12Au2{P(p-MeC6H 4)3}2BH]·CH2Cl2 and [HFe4(CO)12Au2{PEt3}2B]",
abstract = "Six new auraferraboranes of the general formula [Fe4(CO)12Au2LL′BH] (L = L′ = P(c-C6H11)3, P(p-MeC6H4)3, PMePh2, PMe2Ph, PMe3; L = PMePh2, L′ = PMe2Ph) have been prepared. Two structural types are represented, one in which the endo-hydrogen atom bridges an Fe-B edge (structure I) and one in which it bridges an Fe-Fe edge (structure II). The change in hydrogen atom location is accompanied by a rearrangement of the gold(I) phosphine moieties and a reorientation of one iron tricarbonyl unit, while essentially retaining a constant Fe4B framework. The crystal structures of two compounds, [Fe4-(CO)12Au2{P(p-C6H 4)3)2BH]·CH2Cl2 (1) and [HFe4(CO)12Au2{PEt3}2B] (2), are reported, the former being representative of structure I and the latter of structure II. 1: monoclinic, P21/n; a = 20.891 (6), b = 13.367 (4), c = 23.441 (7) {\AA}; β= 110.82 (3)°; V = 6118 (4) {\AA}3; Z = 4; R(F) = 6.39{\%}. 2: monoclinic, I2/a; a = 17.783 (5), b = 11.277 (3), c = 18.084 (7) {\AA}; β = 106.26 (3)°; V = 3481.3 (17) {\AA}3; Z = 4; R(F) = 4.75{\%}. The structure of 1 is similar to that of the related cluster [Fe4(CO)12Au2{PPh3}2BH] (3). In solution, a lig-and-dependent equilibrium exists between structures I and II for the clusters [Fe4(CO)12Au2LL′BH]. The factors that control the dominance of structure I or II for a particular phosphine ligand have been investigated, and the interplay of steric and electronic effects has been assessed. Electronic factors appear to drive the gold(I) phosphine groups to interact with Fe-B rather than Fe-Fe edges of the cluster, while steric factors dictate the actual Fe4Au2B core geometry.",
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N2 - Six new auraferraboranes of the general formula [Fe4(CO)12Au2LL′BH] (L = L′ = P(c-C6H11)3, P(p-MeC6H4)3, PMePh2, PMe2Ph, PMe3; L = PMePh2, L′ = PMe2Ph) have been prepared. Two structural types are represented, one in which the endo-hydrogen atom bridges an Fe-B edge (structure I) and one in which it bridges an Fe-Fe edge (structure II). The change in hydrogen atom location is accompanied by a rearrangement of the gold(I) phosphine moieties and a reorientation of one iron tricarbonyl unit, while essentially retaining a constant Fe4B framework. The crystal structures of two compounds, [Fe4-(CO)12Au2{P(p-C6H 4)3)2BH]·CH2Cl2 (1) and [HFe4(CO)12Au2{PEt3}2B] (2), are reported, the former being representative of structure I and the latter of structure II. 1: monoclinic, P21/n; a = 20.891 (6), b = 13.367 (4), c = 23.441 (7) Å; β= 110.82 (3)°; V = 6118 (4) Å3; Z = 4; R(F) = 6.39%. 2: monoclinic, I2/a; a = 17.783 (5), b = 11.277 (3), c = 18.084 (7) Å; β = 106.26 (3)°; V = 3481.3 (17) Å3; Z = 4; R(F) = 4.75%. The structure of 1 is similar to that of the related cluster [Fe4(CO)12Au2{PPh3}2BH] (3). In solution, a lig-and-dependent equilibrium exists between structures I and II for the clusters [Fe4(CO)12Au2LL′BH]. The factors that control the dominance of structure I or II for a particular phosphine ligand have been investigated, and the interplay of steric and electronic effects has been assessed. Electronic factors appear to drive the gold(I) phosphine groups to interact with Fe-B rather than Fe-Fe edges of the cluster, while steric factors dictate the actual Fe4Au2B core geometry.

AB - Six new auraferraboranes of the general formula [Fe4(CO)12Au2LL′BH] (L = L′ = P(c-C6H11)3, P(p-MeC6H4)3, PMePh2, PMe2Ph, PMe3; L = PMePh2, L′ = PMe2Ph) have been prepared. Two structural types are represented, one in which the endo-hydrogen atom bridges an Fe-B edge (structure I) and one in which it bridges an Fe-Fe edge (structure II). The change in hydrogen atom location is accompanied by a rearrangement of the gold(I) phosphine moieties and a reorientation of one iron tricarbonyl unit, while essentially retaining a constant Fe4B framework. The crystal structures of two compounds, [Fe4-(CO)12Au2{P(p-C6H 4)3)2BH]·CH2Cl2 (1) and [HFe4(CO)12Au2{PEt3}2B] (2), are reported, the former being representative of structure I and the latter of structure II. 1: monoclinic, P21/n; a = 20.891 (6), b = 13.367 (4), c = 23.441 (7) Å; β= 110.82 (3)°; V = 6118 (4) Å3; Z = 4; R(F) = 6.39%. 2: monoclinic, I2/a; a = 17.783 (5), b = 11.277 (3), c = 18.084 (7) Å; β = 106.26 (3)°; V = 3481.3 (17) Å3; Z = 4; R(F) = 4.75%. The structure of 1 is similar to that of the related cluster [Fe4(CO)12Au2{PPh3}2BH] (3). In solution, a lig-and-dependent equilibrium exists between structures I and II for the clusters [Fe4(CO)12Au2LL′BH]. The factors that control the dominance of structure I or II for a particular phosphine ligand have been investigated, and the interplay of steric and electronic effects has been assessed. Electronic factors appear to drive the gold(I) phosphine groups to interact with Fe-B rather than Fe-Fe edges of the cluster, while steric factors dictate the actual Fe4Au2B core geometry.

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