Molecular Structure of C(GeBr3)4 Determined by Gas-Phase Electron Diffraction and Density Functional Theory Calculations: Implications for the Length and Stability of Ge-C Bonds in Crystalline Semiconductor Solids

Arne Haaland; Dmitry J. Shorokhov; Tor G. Strand; John Kouvetakis; Michael O'Keeffe

Molecular Structure of C(GeBr₃)₄ Determined by Gas-Phase Electron Diffraction and Density Functional Theory Calculations: Implications for the Length and Stability of Ge-C Bonds in Crystalline Semiconductor Solids

Arne Haaland, Dmitry J. Shorokhov, Tor G. Strand, John Kouvetakis, Michael O'Keeffe

Molecular Sciences, School of (SMS)

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

1 Scopus citations

Abstract

The structure of C(GeBr₃)₄ has been determined by gas-phase electron diffraction. It has a C-Ge bond length of 2.042(8) Å (about 0.1 Å longer than normal), and the 12 Br atom positions are close to the vertices of a regular icosahedron. Density functional calculations closely reproduce the observed structure. The implications of the observed structure for bond lengths in Ge-C crystals and related electronic materials based on the diamond structure are discussed.

Original language	English (US)
Pages (from-to)	5198-5201
Number of pages	4
Journal	Inorganic chemistry
Volume	36
Issue number	23
State	Published - Dec 1 1997

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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Molecular Structure of C(GeBr₃)₄ Determined by Gas-Phase Electron Diffraction and Density Functional Theory Calculations: Implications for the Length and Stability of Ge-C Bonds in Crystalline Semiconductor Solids. / Haaland, Arne; Shorokhov, Dmitry J.; Strand, Tor G. et al.
In: Inorganic chemistry, Vol. 36, No. 23, 01.12.1997, p. 5198-5201.

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

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abstract = "The structure of C(GeBr3)4 has been determined by gas-phase electron diffraction. It has a C-Ge bond length of 2.042(8) {\AA} (about 0.1 {\AA} longer than normal), and the 12 Br atom positions are close to the vertices of a regular icosahedron. Density functional calculations closely reproduce the observed structure. The implications of the observed structure for bond lengths in Ge-C crystals and related electronic materials based on the diamond structure are discussed.",

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AU - O'Keeffe, Michael

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N2 - The structure of C(GeBr3)4 has been determined by gas-phase electron diffraction. It has a C-Ge bond length of 2.042(8) Å (about 0.1 Å longer than normal), and the 12 Br atom positions are close to the vertices of a regular icosahedron. Density functional calculations closely reproduce the observed structure. The implications of the observed structure for bond lengths in Ge-C crystals and related electronic materials based on the diamond structure are discussed.

AB - The structure of C(GeBr3)4 has been determined by gas-phase electron diffraction. It has a C-Ge bond length of 2.042(8) Å (about 0.1 Å longer than normal), and the 12 Br atom positions are close to the vertices of a regular icosahedron. Density functional calculations closely reproduce the observed structure. The implications of the observed structure for bond lengths in Ge-C crystals and related electronic materials based on the diamond structure are discussed.

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