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

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

Research output: Contribution to Journal › Article › Academic › peer-review

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
Pages (from-to)	12034-12038
Number of pages	5
Journal	Angewandte Chemie International Edition in English
Volume	54
Issue number	41
DOIs	https://doi.org/10.1002/anie.201504864
Publication status	Published - 5 Oct 2015

Keywords

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

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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.",

keywords = "bond theory, coordination modes, hypervalent compounds, main group chemistry, molecular orbital theory",

author = "Goesten, {Maarten G.} and Guerra, {Celia Fonseca} and Freek Kapteijn and Jorge Gascon and Bickelhaupt, {F. Matthias}",

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T1 - Six-Coordinate Group 13 Complexes: The Role of d Orbitals and Electron-Rich Multi-Center Bonding

AU - Goesten, Maarten G.

AU - Guerra, Celia Fonseca

AU - Kapteijn, Freek

AU - Gascon, Jorge

AU - Bickelhaupt, F. Matthias

PY - 2015/10/5

Y1 - 2015/10/5

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

U2 - 10.1002/anie.201504864

DO - 10.1002/anie.201504864

M3 - Article

SN - 0570-0833

VL - 54

SP - 12034

EP - 12038

JO - Angewandte Chemie International Edition in English

JF - Angewandte Chemie International Edition in English

IS - 41

ER -

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

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