A Neutral and Aromatic Boron‐Rich Inorganic Benzene

Kei Ota; Rei Kinjo

doi:10.1002/anie.201915790

Oxidation Chemistry of Inorganic Benzene Complexes

Chemistry - A European Journal ◽

10.1002/chem.201603530 ◽

2016 ◽

Vol 22 (43) ◽

pp. 15248-15251 ◽

Cited By ~ 4

Author(s):

Martin Fleischmann ◽

Fabian Dielmann ◽

Gábor Balázs ◽

Manfred Scheer

Keyword(s):

Oxidation Chemistry ◽

Inorganic Benzene

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Chemical Bonding in Transition Metal Nitride Os3N3+ Cluster: 6π Inorganic Benzene and δ2δ1δ1 Aromaticity

ACS Omega ◽

10.1021/acsomega.8b02709 ◽

2018 ◽

Vol 3 (12) ◽

pp. 17083-17091

Author(s):

Na Liu ◽

Xue-Rui You ◽

Hua-Jin Zhai

Keyword(s):

Transition Metal ◽

Chemical Bonding ◽

Metal Nitride ◽

Transition Metal Nitride ◽

Inorganic Benzene

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A Hybrid Organic/Inorganic Benzene

Angewandte Chemie ◽

10.1002/ange.200805554 ◽

2009 ◽

Vol 121 (5) ◽

pp. 991-995 ◽

Cited By ~ 89

Author(s):

Adam J. V. Marwitz ◽

Myrna H. Matus ◽

Lev N. Zakharov ◽

David A. Dixon ◽

Shih-Yuan Liu

Keyword(s):

Inorganic Benzene

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(e, 2 e)-Spectroscopy and the Electronic Structure of Molecules. A Short Review with Selected Examples

Zeitschrift für Naturforschung A ◽

10.1515/zna-1993-1-265 ◽

1993 ◽

Vol 48 (1-2) ◽

pp. 358-370

Author(s):

M. A. Coplan ◽

J. H. Moore ◽

J. A. Tossell

Keyword(s):

Cross Section ◽

Structure Factor ◽

Impulse Approximation ◽

Short Review ◽

Hartree Fock ◽

Structure Of Molecules ◽

Kinematic Factor ◽

Homonuclear Diatomic Molecule ◽

Geometric Term ◽

Inorganic Benzene

Abstract The simple plane wave target Hartree-Fock impulse approximation for the (e, 2e) reaction is developed. One result of the approximation is the separation of the expression for the (e, 2e) cross-section into a kinematic factor and a structure factor that contains all of the information about the target. When the target is a molecule, the structure factor can be further separated into atomic terms and a geometric term. This is illustrated for a simple one-electron homonuclear diatomic molecule. Three examples of the application of (e, 2e) spectroscopy to systems of chemical interest are given. They are borazine (inorganic benzene), the methyl siloxanes and the inorganic complex trimethylamine boron trifluoride.

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Aromaticity in Heterocyclic and Inorganic Benzene Analogues

Australian Journal of Chemistry ◽

10.1071/ch08043 ◽

2008 ◽

Vol 61 (3) ◽

pp. 209 ◽

Cited By ~ 23

Author(s):

Simon C. A. H. Pierrefixe ◽

F. Matthias Bickelhaupt

Keyword(s):

Density Functional Theory ◽

Molecular Orbital ◽

Density Functional ◽

Regular Structure ◽

Model Systems ◽

Bonding Mechanism ◽

Double Bonds ◽

Functional Theory ◽

Ring Structures ◽

Inorganic Benzene

Recently, we presented a molecular orbital (MO) model of aromaticity that explains, in terms of simple orbital-overlap arguments, why benzene (C6H6) has a regular structure with delocalized double bonds. Here, we show that the same model and the same type of orbital-overlap arguments also account for heterocyclic and inorganic benzene analogues, such as s-triazine (C3N3H3), hexazine (N6), borazine (B3N3H6), boroxine (B3O3H3), hexasilabenzene (Si6H6), and hexaphosphabenzene (P6). Our MO model is based on accurate Kohn–Sham density-functional theory (DFT) analyses of the bonding in the seven model systems, and how the bonding mechanism is affected if these molecules undergo geometrical deformations between regular, delocalized ring structures and distorted ones with localized double bonds. It turns out that also in the heterocyclic and inorganic benzene analogues, the propensity of the π electrons is always to localize the double bonds, against the delocalizing force of the σ electrons. The latter in general prevails, yielding the regular, delocalized ring structures. Interestingly, we find one exception to this rule: N6.

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