Syntheses, structures, and bonding of Cp 2M(ER) 2 compounds (Cp = C 5H 5; M = Ti, Zr; e = Ga, In; R = C 6H 3-2,6-(2,4,6-i-Pr 3C 6H 2) 2)

Xiao Juan Yang; Yuzhong Wang; Brandon Quillian; Pingrong Wei; Zhongfang Chen; Paul V.R. Schleyer; Gregory H. Robinson

doi:10.1021/om050825n

Syntheses, structures, and bonding of Cp ₂M(ER) ₂ compounds (Cp = C ₅H ₅; M = Ti, Zr; e = Ga, In; R = C ₆H ₃-2,6-(2,4,6-i-Pr ₃C ₆H ₂) ₂)

Xiao Juan Yang
, Yuzhong Wang
, Brandon Quillian
, Pingrong Wei
, Zhongfang Chen
, Paul V.R. Schleyer
, Gregory H. Robinson

Biochemistry, Chemistry & Physics

University of Georgia

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

39 Scopus citations

Abstract

Sodium or magnesium metal reduction of Cp ₂MCl ₂ (Cp = C ₅H ₅; M = Zr, Ti) with RECl ₂ (E = Ga, In; R = C ₆H ₃-2,6-(2,4,6-i-Pr ₃C ₆H ₂) ₂) affords heteronuclear organometallic compounds, Cp ₂M(ER) ₂, with new types of group 4-group 13 M-E bonds (Zr-Ga (1), Ti-Ga (2), Zr-In (3), Ti-In (4)). These compounds have been characterized by elemental analyses, ¹H and ¹³C NMR spectroscopy, and single-crystal X-ray diffraction analyses. The structures of 1-4 have V-shaped E-M-E trimetallic linkages with quite short M-E bonds (Zr-Ga, 2.6350(8) A°; Ti-Ga, 2.4921(7) A°; Zr-In, 2.7916(5) A°; Ti-In, 2.6685(8) A°). The transition metal (M = Zr, Ti) centers adopt a pseudo-tetrahedral coordination geometry, while the main group metal (E = Ga, In) atoms reside in a two-coordinate, almost linear environment. Density functional theory (DFT) computations on the model compounds Cp ₂M(EPh) ₂ (1Ph-4Ph) suggest significant π-back-bonding from the group 4 metals (Zr, Ti) to the group 13 metals (Ga, In) in these compounds.

Original language	English
Pages (from-to)	925-929
Number of pages	5
Journal	Organometallics
Volume	25
Issue number	4
DOIs	https://doi.org/10.1021/om050825n
State	Published - Feb 13 2006

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Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry

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@article{7e869eff985c434081315915e0786b54,

title = "Syntheses, structures, and bonding of Cp 2M(ER) 2 compounds (Cp = C 5H 5; M = Ti, Zr; e = Ga, In; R = C 6H 3-2,6-(2,4,6-i-Pr 3C 6H 2) 2)",

abstract = "Sodium or magnesium metal reduction of Cp 2MCl 2 (Cp = C 5H 5; M = Zr, Ti) with RECl 2 (E = Ga, In; R = C 6H 3-2,6-(2,4,6-i-Pr 3C 6H 2) 2) affords heteronuclear organometallic compounds, Cp 2M(ER) 2, with new types of group 4-group 13 M-E bonds (Zr-Ga (1), Ti-Ga (2), Zr-In (3), Ti-In (4)). These compounds have been characterized by elemental analyses, 1H and 13C NMR spectroscopy, and single-crystal X-ray diffraction analyses. The structures of 1-4 have V-shaped E-M-E trimetallic linkages with quite short M-E bonds (Zr-Ga, 2.6350(8) A°; Ti-Ga, 2.4921(7) A°; Zr-In, 2.7916(5) A°; Ti-In, 2.6685(8) A°). The transition metal (M = Zr, Ti) centers adopt a pseudo-tetrahedral coordination geometry, while the main group metal (E = Ga, In) atoms reside in a two-coordinate, almost linear environment. Density functional theory (DFT) computations on the model compounds Cp 2M(EPh) 2 (1Ph-4Ph) suggest significant π-back-bonding from the group 4 metals (Zr, Ti) to the group 13 metals (Ga, In) in these compounds.",

author = "Yang, \{Xiao Juan\} and Yuzhong Wang and Brandon Quillian and Pingrong Wei and Zhongfang Chen and Schleyer, \{Paul V.R.\} and Robinson, \{Gregory H.\}",

year = "2006",

month = feb,

day = "13",

doi = "10.1021/om050825n",

language = "English",

volume = "25",

pages = "925--929",

journal = "Organometallics",

issn = "0276-7333",

publisher = "American Chemical Society",

number = "4",

}

TY - JOUR

T1 - Syntheses, structures, and bonding of Cp 2M(ER) 2 compounds (Cp = C 5H 5; M = Ti, Zr; e = Ga, In; R = C 6H 3-2,6-(2,4,6-i-Pr 3C 6H 2) 2)

AU - Yang, Xiao Juan

AU - Wang, Yuzhong

AU - Quillian, Brandon

AU - Wei, Pingrong

AU - Chen, Zhongfang

AU - Schleyer, Paul V.R.

AU - Robinson, Gregory H.

PY - 2006/2/13

Y1 - 2006/2/13

N2 - Sodium or magnesium metal reduction of Cp 2MCl 2 (Cp = C 5H 5; M = Zr, Ti) with RECl 2 (E = Ga, In; R = C 6H 3-2,6-(2,4,6-i-Pr 3C 6H 2) 2) affords heteronuclear organometallic compounds, Cp 2M(ER) 2, with new types of group 4-group 13 M-E bonds (Zr-Ga (1), Ti-Ga (2), Zr-In (3), Ti-In (4)). These compounds have been characterized by elemental analyses, 1H and 13C NMR spectroscopy, and single-crystal X-ray diffraction analyses. The structures of 1-4 have V-shaped E-M-E trimetallic linkages with quite short M-E bonds (Zr-Ga, 2.6350(8) A°; Ti-Ga, 2.4921(7) A°; Zr-In, 2.7916(5) A°; Ti-In, 2.6685(8) A°). The transition metal (M = Zr, Ti) centers adopt a pseudo-tetrahedral coordination geometry, while the main group metal (E = Ga, In) atoms reside in a two-coordinate, almost linear environment. Density functional theory (DFT) computations on the model compounds Cp 2M(EPh) 2 (1Ph-4Ph) suggest significant π-back-bonding from the group 4 metals (Zr, Ti) to the group 13 metals (Ga, In) in these compounds.

AB - Sodium or magnesium metal reduction of Cp 2MCl 2 (Cp = C 5H 5; M = Zr, Ti) with RECl 2 (E = Ga, In; R = C 6H 3-2,6-(2,4,6-i-Pr 3C 6H 2) 2) affords heteronuclear organometallic compounds, Cp 2M(ER) 2, with new types of group 4-group 13 M-E bonds (Zr-Ga (1), Ti-Ga (2), Zr-In (3), Ti-In (4)). These compounds have been characterized by elemental analyses, 1H and 13C NMR spectroscopy, and single-crystal X-ray diffraction analyses. The structures of 1-4 have V-shaped E-M-E trimetallic linkages with quite short M-E bonds (Zr-Ga, 2.6350(8) A°; Ti-Ga, 2.4921(7) A°; Zr-In, 2.7916(5) A°; Ti-In, 2.6685(8) A°). The transition metal (M = Zr, Ti) centers adopt a pseudo-tetrahedral coordination geometry, while the main group metal (E = Ga, In) atoms reside in a two-coordinate, almost linear environment. Density functional theory (DFT) computations on the model compounds Cp 2M(EPh) 2 (1Ph-4Ph) suggest significant π-back-bonding from the group 4 metals (Zr, Ti) to the group 13 metals (Ga, In) in these compounds.

UR - https://www.scopus.com/pages/publications/33644503581

U2 - 10.1021/om050825n

DO - 10.1021/om050825n

M3 - Article

AN - SCOPUS:33644503581

SN - 0276-7333

VL - 25

SP - 925

EP - 929

JO - Organometallics

JF - Organometallics

IS - 4

ER -

Syntheses, structures, and bonding of Cp ₂M(ER) ₂ compounds (Cp = C ₅H ₅; M = Ti, Zr; e = Ga, In; R = C ₆H ₃-2,6-(2,4,6-i-Pr ₃C ₆H ₂) ₂)

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