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

doi:10.1021/ic970582u

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

8 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
DOIs	https://doi.org/10.1021/ic970582u
State	Published - 1997

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

Access to Document

10.1021/ic970582u

Fingerprint

Dive into the research topics of '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'. Together they form a unique fingerprint.

Cite this

Haaland, A., Shorokhov, D. J., Strand, T. G., Kouvetakis, J., & O'Keeffe, M. (1997). 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. Inorganic chemistry, 36(23), 5198-5201. https://doi.org/10.1021/ic970582u

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, 1997, p. 5198-5201.

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

Haaland, A, Shorokhov, DJ, Strand, TG, Kouvetakis, J & O'Keeffe, M 1997, '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', Inorganic chemistry, vol. 36, no. 23, pp. 5198-5201. https://doi.org/10.1021/ic970582u

@article{8ffe4aabc4be46d0aa3102f62c171f6f,

title = "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",

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.",

author = "Arne Haaland and Shorokhov, {Dmitry J.} and Strand, {Tor G.} and John Kouvetakis and Michael O'Keeffe",

year = "1997",

doi = "10.1021/ic970582u",

language = "English (US)",

volume = "36",

pages = "5198--5201",

journal = "Inorganic chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "23",

}

TY - JOUR

T1 - Molecular Structure of C(GeBr3)4 Determined by Gas-Phase Electron Diffraction and Density Functional Theory Calculations

T2 - Implications for the Length and Stability of Ge-C Bonds in Crystalline Semiconductor Solids

AU - Haaland, Arne

AU - Shorokhov, Dmitry J.

AU - Strand, Tor G.

AU - Kouvetakis, John

AU - O'Keeffe, Michael

PY - 1997

Y1 - 1997

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.

UR - http://www.scopus.com/inward/record.url?scp=0001600950&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001600950&partnerID=8YFLogxK

U2 - 10.1021/ic970582u

DO - 10.1021/ic970582u

M3 - Article

AN - SCOPUS:0001600950

SN - 0020-1669

VL - 36

SP - 5198

EP - 5201

JO - Inorganic chemistry

JF - Inorganic chemistry

IS - 23

ER -