Six-Coordinate Group 13 Complexes: The Role of d Orbitals and Electron-Rich Multi-Center Bonding

Maarten G. Goesten; Célia Fonseca Guerra; Freek Kapteijn; Jorge Gascon; F. Matthias Bickelhaupt

doi:10.1002/anie.201504864

Six-Coordinate Group 13 Complexes: The Role of d Orbitals and Electron-Rich Multi-Center Bonding

Maarten G. Goesten, Célia Fonseca Guerra, Freek Kapteijn, Jorge Gascon, F. Matthias Bickelhaupt

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

14 Scopus citations

Abstract

Bonding in six-coordinate complexes based on Group 13 elements (B, Al, Ga, In, Tl) is usually considered to be identical to that in transition-metal analogues. We herein demonstrate through sophisticated electronic-structure analyses that the bonding in these Group 13 element complexes is fundamentally different and better characterized as electron-rich hypervalent bonding with essentially no role for the d orbitals. This characteristic is carried through to the molecular properties of the complex.

Original language	English (US)
Pages (from-to)	12034-12038
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	54
Issue number	41
DOIs	https://doi.org/10.1002/anie.201504864
State	Published - Oct 1 2015
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords

bond theory
coordination modes
hypervalent compounds
main group chemistry
molecular orbital theory

ASJC Scopus subject areas

Catalysis
General Chemistry

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10.1002/anie.201504864

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abstract = "Bonding in six-coordinate complexes based on Group 13 elements (B, Al, Ga, In, Tl) is usually considered to be identical to that in transition-metal analogues. We herein demonstrate through sophisticated electronic-structure analyses that the bonding in these Group 13 element complexes is fundamentally different and better characterized as electron-rich hypervalent bonding with essentially no role for the d orbitals. This characteristic is carried through to the molecular properties of the complex.",

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T2 - The Role of d Orbitals and Electron-Rich Multi-Center Bonding

AU - Goesten, Maarten G.

AU - Fonseca Guerra, Célia

AU - Kapteijn, Freek

AU - Gascon, Jorge

AU - Bickelhaupt, F. Matthias

PY - 2015/10/1

Y1 - 2015/10/1

N2 - Bonding in six-coordinate complexes based on Group 13 elements (B, Al, Ga, In, Tl) is usually considered to be identical to that in transition-metal analogues. We herein demonstrate through sophisticated electronic-structure analyses that the bonding in these Group 13 element complexes is fundamentally different and better characterized as electron-rich hypervalent bonding with essentially no role for the d orbitals. This characteristic is carried through to the molecular properties of the complex.

AB - Bonding in six-coordinate complexes based on Group 13 elements (B, Al, Ga, In, Tl) is usually considered to be identical to that in transition-metal analogues. We herein demonstrate through sophisticated electronic-structure analyses that the bonding in these Group 13 element complexes is fundamentally different and better characterized as electron-rich hypervalent bonding with essentially no role for the d orbitals. This characteristic is carried through to the molecular properties of the complex.

KW - bond theory

KW - coordination modes

KW - hypervalent compounds

KW - main group chemistry

KW - molecular orbital theory

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DO - 10.1002/anie.201504864

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JF - Angewandte Chemie - International Edition

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ER -

Six-Coordinate Group 13 Complexes: The Role of d Orbitals and Electron-Rich Multi-Center Bonding

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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