Complex Chemistry of Reactive Organic Compounds. 48.1 σ-Alkyl, π-Allyl, and π-01efin Coordination of Diphenylketene: Neutron Diffraction Studies of the Carbonyliron Complexes Fe(CO)3[η3: η1-(C6H5)2CCO] and Fe2(CO)6[CH(C6H5)(C6H4)]

I. Bkouche-Waksman; J. S. Ricci; T. F. Koetzle; J. Weichmann; W. A. Herrmann

doi:10.1021/ic00204a018

Complex Chemistry of Reactive Organic Compounds. 48.1 σ-Alkyl, π-Allyl, and π-01efin Coordination of Diphenylketene: Neutron Diffraction Studies of the Carbonyliron Complexes Fe(CO)3[η3: η1-(C6H5)2CCO] and Fe2(CO)6[CH(C6H5)(C6H4)]

I. Bkouche-Waksman, J. S. Ricci, T. F. Koetzle, J. Weichmann, W. A. Herrmann

Brookhaven National Laboratory

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

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Abstract

Photolysis of pentacarbonyliron in the presence of diphenylketene yields the novel η1: η3-diphenylketene complex of composition Fe(CO)3[(C6H5)2C2O] (1). This compound, according to a single-crystal neutron diffraction study, exhibits the heterocumulene precursor in a π-allyl/σ-acyl coordination: One phenyl ring engages in π bonding of this ligand to the transition-metal center. Crystallographic data: triclinic, space group P1; a = 8.852 (2), b = 1-1.571 (4), c = 14.558 (6) Å; α = 106.94 (2), β = 89.76 (2), γ = 91.94 (2)°; V = 1425.6 (2) Å3; Z = 4; R(F2) = 0.078 for all 5206 reflections measured at T = 15 K. Upon treatment of compound 1 with excess enneacarbonyldiiron, the dinuclear complex Fe2(CO)6[CH(C6H4)(C6H4)] (3) is formed in 77% yield. This molecule was shown by neutron diffraction techniques to contain a bridging hydrocarbon ligand related to the original ketene ligand in 1 by decarbonylation and 1,3-hydrogen shift. Crystal data: monoclinic, space group P21/n; a = 8.298 (3), b = 12.463 (6), c = 17.380 (3) Å; 0 = 97.95 (1)°; V = 1780 (1) Å3; Z = 4; R(F2) = 0.111 for 2622 neutron reflections with [formula omitted] measured at T = 230 K.

Original language	English
Pages (from-to)	1492-1499
Number of pages	8
Journal	Inorganic Chemistry
Volume	24
Issue number	10
DOIs	https://doi.org/10.1021/ic00204a018
State	Published - 1 May 1985
Externally published	Yes

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Bkouche-Waksman, I., Ricci, J. S., Koetzle, T. F., Weichmann, J., & Herrmann, W. A. (1985). Complex Chemistry of Reactive Organic Compounds. 48.1 σ-Alkyl, π-Allyl, and π-01efin Coordination of Diphenylketene: Neutron Diffraction Studies of the Carbonyliron Complexes Fe(CO)3[η3: η1-(C6H5)2CCO] and Fe2(CO)6[CH(C6H5)(C6H4)]. Inorganic Chemistry, 24(10), 1492-1499. https://doi.org/10.1021/ic00204a018

@article{303c8f704b65418091a38759ca80ffbf,

title = "Complex Chemistry of Reactive Organic Compounds. 48.1 σ-Alkyl, π-Allyl, and π-01efin Coordination of Diphenylketene: Neutron Diffraction Studies of the Carbonyliron Complexes Fe(CO)3[η3: η1-(C6H5)2CCO] and Fe2(CO)6[CH(C6H5)(C6H4)]",

abstract = "Photolysis of pentacarbonyliron in the presence of diphenylketene yields the novel η1: η3-diphenylketene complex of composition Fe(CO)3[(C6H5)2C2O] (1). This compound, according to a single-crystal neutron diffraction study, exhibits the heterocumulene precursor in a π-allyl/σ-acyl coordination: One phenyl ring engages in π bonding of this ligand to the transition-metal center. Crystallographic data: triclinic, space group P1; a = 8.852 (2), b = 1-1.571 (4), c = 14.558 (6) {\AA}; α = 106.94 (2), β = 89.76 (2), γ = 91.94 (2)°; V = 1425.6 (2) {\AA}3; Z = 4; R(F2) = 0.078 for all 5206 reflections measured at T = 15 K. Upon treatment of compound 1 with excess enneacarbonyldiiron, the dinuclear complex Fe2(CO)6[CH(C6H4)(C6H4)] (3) is formed in 77% yield. This molecule was shown by neutron diffraction techniques to contain a bridging hydrocarbon ligand related to the original ketene ligand in 1 by decarbonylation and 1,3-hydrogen shift. Crystal data: monoclinic, space group P21/n; a = 8.298 (3), b = 12.463 (6), c = 17.380 (3) {\AA}; 0 = 97.95 (1)°; V = 1780 (1) {\AA}3; Z = 4; R(F2) = 0.111 for 2622 neutron reflections with [formula omitted] measured at T = 230 K.",

author = "I. Bkouche-Waksman and Ricci, {J. S.} and Koetzle, {T. F.} and J. Weichmann and Herrmann, {W. A.}",

year = "1985",

month = may,

day = "1",

doi = "10.1021/ic00204a018",

language = "English",

volume = "24",

pages = "1492--1499",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "10",

}

Bkouche-Waksman, I, Ricci, JS, Koetzle, TF, Weichmann, J & Herrmann, WA 1985, 'Complex Chemistry of Reactive Organic Compounds. 48.1 σ-Alkyl, π-Allyl, and π-01efin Coordination of Diphenylketene: Neutron Diffraction Studies of the Carbonyliron Complexes Fe(CO)3[η3: η1-(C6H5)2CCO] and Fe2(CO)6[CH(C6H5)(C6H4)]', Inorganic Chemistry, vol. 24, no. 10, pp. 1492-1499. https://doi.org/10.1021/ic00204a018

Complex Chemistry of Reactive Organic Compounds. 48.1 σ-Alkyl, π-Allyl, and π-01efin Coordination of Diphenylketene: Neutron Diffraction Studies of the Carbonyliron Complexes Fe(CO)3[η3: η1-(C6H5)2CCO] and Fe2(CO)6[CH(C6H5)(C6H4)]. / Bkouche-Waksman, I.; Ricci, J. S.; Koetzle, T. F. et al.
In: Inorganic Chemistry, Vol. 24, No. 10, 01.05.1985, p. 1492-1499.

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

TY - JOUR

T1 - Complex Chemistry of Reactive Organic Compounds. 48.1 σ-Alkyl, π-Allyl, and π-01efin Coordination of Diphenylketene

T2 - Neutron Diffraction Studies of the Carbonyliron Complexes Fe(CO)3[η3: η1-(C6H5)2CCO] and Fe2(CO)6[CH(C6H5)(C6H4)]

AU - Bkouche-Waksman, I.

AU - Ricci, J. S.

AU - Koetzle, T. F.

AU - Weichmann, J.

AU - Herrmann, W. A.

PY - 1985/5/1

Y1 - 1985/5/1

N2 - Photolysis of pentacarbonyliron in the presence of diphenylketene yields the novel η1: η3-diphenylketene complex of composition Fe(CO)3[(C6H5)2C2O] (1). This compound, according to a single-crystal neutron diffraction study, exhibits the heterocumulene precursor in a π-allyl/σ-acyl coordination: One phenyl ring engages in π bonding of this ligand to the transition-metal center. Crystallographic data: triclinic, space group P1; a = 8.852 (2), b = 1-1.571 (4), c = 14.558 (6) Å; α = 106.94 (2), β = 89.76 (2), γ = 91.94 (2)°; V = 1425.6 (2) Å3; Z = 4; R(F2) = 0.078 for all 5206 reflections measured at T = 15 K. Upon treatment of compound 1 with excess enneacarbonyldiiron, the dinuclear complex Fe2(CO)6[CH(C6H4)(C6H4)] (3) is formed in 77% yield. This molecule was shown by neutron diffraction techniques to contain a bridging hydrocarbon ligand related to the original ketene ligand in 1 by decarbonylation and 1,3-hydrogen shift. Crystal data: monoclinic, space group P21/n; a = 8.298 (3), b = 12.463 (6), c = 17.380 (3) Å; 0 = 97.95 (1)°; V = 1780 (1) Å3; Z = 4; R(F2) = 0.111 for 2622 neutron reflections with [formula omitted] measured at T = 230 K.

AB - Photolysis of pentacarbonyliron in the presence of diphenylketene yields the novel η1: η3-diphenylketene complex of composition Fe(CO)3[(C6H5)2C2O] (1). This compound, according to a single-crystal neutron diffraction study, exhibits the heterocumulene precursor in a π-allyl/σ-acyl coordination: One phenyl ring engages in π bonding of this ligand to the transition-metal center. Crystallographic data: triclinic, space group P1; a = 8.852 (2), b = 1-1.571 (4), c = 14.558 (6) Å; α = 106.94 (2), β = 89.76 (2), γ = 91.94 (2)°; V = 1425.6 (2) Å3; Z = 4; R(F2) = 0.078 for all 5206 reflections measured at T = 15 K. Upon treatment of compound 1 with excess enneacarbonyldiiron, the dinuclear complex Fe2(CO)6[CH(C6H4)(C6H4)] (3) is formed in 77% yield. This molecule was shown by neutron diffraction techniques to contain a bridging hydrocarbon ligand related to the original ketene ligand in 1 by decarbonylation and 1,3-hydrogen shift. Crystal data: monoclinic, space group P21/n; a = 8.298 (3), b = 12.463 (6), c = 17.380 (3) Å; 0 = 97.95 (1)°; V = 1780 (1) Å3; Z = 4; R(F2) = 0.111 for 2622 neutron reflections with [formula omitted] measured at T = 230 K.

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U2 - 10.1021/ic00204a018

DO - 10.1021/ic00204a018

M3 - Article

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SN - 0020-1669

VL - 24

SP - 1492

EP - 1499

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 10

ER -

Bkouche-Waksman I, Ricci JS, Koetzle TF, Weichmann J, Herrmann WA. Complex Chemistry of Reactive Organic Compounds. 48.1 σ-Alkyl, π-Allyl, and π-01efin Coordination of Diphenylketene: Neutron Diffraction Studies of the Carbonyliron Complexes Fe(CO)3[η3: η1-(C6H5)2CCO] and Fe2(CO)6[CH(C6H5)(C6H4)]. Inorganic Chemistry. 1985 May 1;24(10):1492-1499. doi: 10.1021/ic00204a018

Complex Chemistry of Reactive Organic Compounds. 48.1 σ-Alkyl, π-Allyl, and π-01efin Coordination of Diphenylketene: Neutron Diffraction Studies of the Carbonyliron Complexes Fe(CO)3[η3: η1-(C6H5)2CCO] and Fe2(CO)6[CH(C6H5)(C6H4)]

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