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September 26, 2025The Journal of Physical Chemistry A

The Electronic Structure of Boron, Aluminum, and Scandium Monoxides: BO, AlO, and ScO

João Gabriel Farias Romeu James L. Gole David A. Dixon

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Key Points

Dissociation energies for BO, AlO, and ScO are 192.4, 120.2, and 158.2 kcal/mol, respectively, defining combustion dynamics.
Spectroscopic parameters at the icMRCI+Q level align well with experimental data, suggesting reliable predictive models.
Potential energy curves were calculated using a complex method, providing detailed insights into electronic transitions.
The analysis indicates an increase in ionic character from BO to AlO, highlighting differences in bonding nature.

Implication

Analysis shows dissociation energies and spectral data for BO, AlO, and ScO, indicating combustion roles.

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Cite This Study

Romeu et al. (2025) studied this question.

synapsesocial.com/papers/68d7cc6eeebfec0fc5238f03 https://doi.org/10.1021/acs.jpca.5c05513

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