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Effect of Bending on the Electrical Characteristics of Flexible Organic Single Crystal-based Field-effect Transistors

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Electron-deficient bonding in rhomboid rings.

Musiri M Balakrishnarajan¹, Roald Hoffmann

¹Contribution from the Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, NY 14853, USA.

Journal of the American Chemical Society

|October 8, 2004

Summary

Boron compounds with a rhomboidal B(4) framework exhibit unusual electron counts. This study reveals four skeletal molecular orbitals (MOs) are key to their stability, challenging traditional bonding theories.

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Area of Science:

Inorganic Chemistry
Materials Science
Theoretical Chemistry

Background:

Traditional boron bonding models include localized (2c-2e/3c-2e) and delocalized polyhedral structures.
Recent synthesis of rhomboidal B(4) boron compounds presents challenges to existing bonding theories due to variable skeletal electron counts.

Purpose of the Study:

To systematically investigate the origin of diverse skeletal electron counts in rhomboidal B(4) boron compounds.
To analyze the bonding nature within these novel boron frameworks and related structures.

Main Methods:

Computational analysis of skeletal molecular orbitals (MOs).
Examination of bonding in specific compounds like Na(3)B(20) and beta-SiB(3).

Main Results:

Identified four primary skeletal MOs responsible for stabilizing the B(4) framework.
The rhombo-B(4) unit, as a macropolyhedral subunit, deviates from Wade's rules.
Analysis of Na(3)B(20) suggests a need for additional electrons for optimal bonding.

Conclusions:

The bonding in rhomboidal B(4) systems is explained by a specific set of skeletal MOs, not fully captured by existing rules.
The findings provide a new framework for understanding electron counts in complex boron structures.
This work advances the understanding of bonding in boron-rich materials and silicon-boron compounds.