On the chemistry of Zn-Zn bonds, RZn-ZnR (R = [{(2,6-Pri 2C6H3)N(Me)C}2CH]): Synthesis, structure, and computations

Yuzhong Wang; Brandon Quillian; Pingrong Wei; Hongyan Wang; Xiao Juan Yang; Yaoming Xie; R. Bruce King; Paul V.R. Schleyer; H. Fritz Schaefer; Gregory H. Robinson

doi:10.1021/ja053819r

On the chemistry of Zn-Zn bonds, RZn-ZnR (R = [{(2,6-Prⁱ ₂C₆H₃)N(Me)C}₂CH]): Synthesis, structure, and computations

Yuzhong Wang
, Brandon Quillian
, Pingrong Wei
, Hongyan Wang
, Xiao Juan Yang
, Yaoming Xie
, R. Bruce King
, Paul V.R. Schleyer
, H. Fritz Schaefer
, Gregory H. Robinson^*

^*Corresponding author for this work

University of Georgia

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

191 Citations (Scopus)

Abstract

Potassium reduction of RZn(μ-I)₂Li(OEt₂)₂ (R = [{(2,6-Prⁱ₂C₆H₃)N(Me)C}₂CH]) affords the second compound with a Zn-Zn bond, RZn-ZnR. The air- and moisture-sensitive title compound was characterized by ¹H NMR, elemental analyses, and single-crystal X-ray diffraction. The Zn-Zn bond was determined to be 2.3586(7) Å; this value is only about 0.05 Å longer than the Zn-Zn bond reported for Cp*Zn-ZnCp* (Cp* = C₅Me₅), the first reported compound with a Zn-Zn bond. In addition, density functional theory (DFT) computations on related model RZn-ZnR compounds provide insight into the intriguing Zn-Zn bond.

Original language	English
Pages (from-to)	11944-11945
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	127
Issue number	34
DOIs	https://doi.org/10.1021/ja053819r
Publication status	Published - 31 Aug 2005
Externally published	Yes

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@article{5bc38b10fc9a44a7b07bd58b5632d99e,

title = "On the chemistry of Zn-Zn bonds, RZn-ZnR (R = [\{(2,6-Pri 2C6H3)N(Me)C\}2CH]): Synthesis, structure, and computations",

abstract = "Potassium reduction of RZn(μ-I)2Li(OEt2)2 (R = [\{(2,6-Pri2C6H3)N(Me)C\}2CH]) affords the second compound with a Zn-Zn bond, RZn-ZnR. The air- and moisture-sensitive title compound was characterized by 1H NMR, elemental analyses, and single-crystal X-ray diffraction. The Zn-Zn bond was determined to be 2.3586(7) {\AA}; this value is only about 0.05 {\AA} longer than the Zn-Zn bond reported for Cp*Zn-ZnCp* (Cp* = C5Me5), the first reported compound with a Zn-Zn bond. In addition, density functional theory (DFT) computations on related model RZn-ZnR compounds provide insight into the intriguing Zn-Zn bond.",

author = "Yuzhong Wang and Brandon Quillian and Pingrong Wei and Hongyan Wang and Yang, \{Xiao Juan\} and Yaoming Xie and King, \{R. Bruce\} and Schleyer, \{Paul V.R.\} and Schaefer, \{H. Fritz\} and Robinson, \{Gregory H.\}",

year = "2005",

month = aug,

day = "31",

doi = "10.1021/ja053819r",

language = "English",

volume = "127",

pages = "11944--11945",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

number = "34",

}

TY - JOUR

T1 - On the chemistry of Zn-Zn bonds, RZn-ZnR (R = [{(2,6-Pri 2C6H3)N(Me)C}2CH])

T2 - Synthesis, structure, and computations

AU - Wang, Yuzhong

AU - Quillian, Brandon

AU - Wei, Pingrong

AU - Wang, Hongyan

AU - Yang, Xiao Juan

AU - Xie, Yaoming

AU - King, R. Bruce

AU - Schleyer, Paul V.R.

AU - Schaefer, H. Fritz

AU - Robinson, Gregory H.

PY - 2005/8/31

Y1 - 2005/8/31

N2 - Potassium reduction of RZn(μ-I)2Li(OEt2)2 (R = [{(2,6-Pri2C6H3)N(Me)C}2CH]) affords the second compound with a Zn-Zn bond, RZn-ZnR. The air- and moisture-sensitive title compound was characterized by 1H NMR, elemental analyses, and single-crystal X-ray diffraction. The Zn-Zn bond was determined to be 2.3586(7) Å; this value is only about 0.05 Å longer than the Zn-Zn bond reported for Cp*Zn-ZnCp* (Cp* = C5Me5), the first reported compound with a Zn-Zn bond. In addition, density functional theory (DFT) computations on related model RZn-ZnR compounds provide insight into the intriguing Zn-Zn bond.

AB - Potassium reduction of RZn(μ-I)2Li(OEt2)2 (R = [{(2,6-Pri2C6H3)N(Me)C}2CH]) affords the second compound with a Zn-Zn bond, RZn-ZnR. The air- and moisture-sensitive title compound was characterized by 1H NMR, elemental analyses, and single-crystal X-ray diffraction. The Zn-Zn bond was determined to be 2.3586(7) Å; this value is only about 0.05 Å longer than the Zn-Zn bond reported for Cp*Zn-ZnCp* (Cp* = C5Me5), the first reported compound with a Zn-Zn bond. In addition, density functional theory (DFT) computations on related model RZn-ZnR compounds provide insight into the intriguing Zn-Zn bond.

UR - https://www.scopus.com/pages/publications/24144498749

U2 - 10.1021/ja053819r

DO - 10.1021/ja053819r

M3 - Article

AN - SCOPUS:24144498749

SN - 0002-7863

VL - 127

SP - 11944

EP - 11945

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 34

ER -

On the chemistry of Zn-Zn bonds, RZn-ZnR (R = [{(2,6-Prⁱ ₂C₆H₃)N(Me)C}₂CH]): Synthesis, structure, and computations

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