The ground electronic state of CO–3 has been shown by ab initio calculations to be a 2B1 state. It has a structure of C2v symmetry with a unique OCO angle of 131.36°. Calculated results show that EHT and INDO methods have failed to predict the structure of this species.
S. P. So, J. Chem. Soc., Faraday Trans. 2, 1976, 72, 646 DOI: 10.1039/F29767200646
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