On the 2-electron 3-center B-H-B bond: Charge density determination of tetraborane(10)

Diana Förster; Christian B. Hübschle; Peter Luger; Thomas Hügle; Dieter Lentz

doi:10.1021/ic701924r

On the 2-electron 3-center B-H-B bond: Charge density determination of tetraborane(10)

Diana Förster, Christian B. Hübschle, Peter Luger, Thomas Hügle, Dieter Lentz

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

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Abstract

In order to characterize the 2-electron 3-center hydride bridges in arachno-tetraborane, an experimental charge-density study was performed complemented with various theoretical calculations. The charge-density distribution and its topological properties were analyzed according to the "atoms in molecules" theory of Bader. The asymmetric bonding situation of the highly polarized hydride bridges is discussed in detail.

Original language	English
Pages (from-to)	1874-1876
Number of pages	3
Journal	Inorganic Chemistry
Volume	47
Issue number	6
DOIs	https://doi.org/10.1021/ic701924r
State	Published - Mar 17 2008
Externally published	Yes

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abstract = "In order to characterize the 2-electron 3-center hydride bridges in arachno-tetraborane, an experimental charge-density study was performed complemented with various theoretical calculations. The charge-density distribution and its topological properties were analyzed according to the {"}atoms in molecules{"} theory of Bader. The asymmetric bonding situation of the highly polarized hydride bridges is discussed in detail.",

author = "Diana F{\"o}rster and H{\"u}bschle, {Christian B.} and Peter Luger and Thomas H{\"u}gle and Dieter Lentz",

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AU - Förster, Diana

AU - Hübschle, Christian B.

AU - Luger, Peter

AU - Hügle, Thomas

AU - Lentz, Dieter

PY - 2008/3/17

Y1 - 2008/3/17

N2 - In order to characterize the 2-electron 3-center hydride bridges in arachno-tetraborane, an experimental charge-density study was performed complemented with various theoretical calculations. The charge-density distribution and its topological properties were analyzed according to the "atoms in molecules" theory of Bader. The asymmetric bonding situation of the highly polarized hydride bridges is discussed in detail.

AB - In order to characterize the 2-electron 3-center hydride bridges in arachno-tetraborane, an experimental charge-density study was performed complemented with various theoretical calculations. The charge-density distribution and its topological properties were analyzed according to the "atoms in molecules" theory of Bader. The asymmetric bonding situation of the highly polarized hydride bridges is discussed in detail.

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JO - Inorganic Chemistry

JF - Inorganic Chemistry

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On the 2-electron 3-center B-H-B bond: Charge density determination of tetraborane(10)

Abstract

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