SCF-Xα calculations are reported for the title molecules, including transition-state calculations of valence-shell ionization energies. Trends in electronic properties across the series are examined and where comparison with experiment is possible (p.e.s.) the agreement is very good.
B. D. El-Issa and A. Hinchliffe, J. Chem. Soc., Faraday Trans. 2, 1980, 76, 1375 DOI: 10.1039/F29807601375
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