Ab initio MO calculations at the {MP2(fc)/6-311++G(d,p)/ /3-21G(*)+ZPVE[3-21G(*)]} and {MP2(fc)/D95++G(d,p)/ /3-21G(*)+ZPVE[3-21G(*)]} levels of sophistication and also an analogous DFT/DNP study reveal that HAlCl4 has a gas phase deprotonation energy of ca. 264 kcal mol–1 (1 cal = 4.184 J) being lower than the value predicted for HTaF6 (269 kcal mol–1).
A. H. Otto, A. H. Otto, T. Steiger and S. Schrader, Chem. Commun., 1998, 391 DOI: 10.1039/A707493J
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