Protonated MF– (M=Au, Ir, Os, Re, Ta, W) behave as superacids and are building blocks of new class of salt

Novel strong superacids HMF 6 (M=Au, Ir, Os, Re, Ta, W) are proposed and are investigated with the help of DFT/B3LYP method and SDD basis set for 5d transition metals as well as 6-311++G (d) basis set for H and F atoms. These HMF 6 superacids are composed with Brønsted/Lewis (MF 5 /HF). The stabilit...

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Veröffentlicht in:	Structural chemistry 2022-02, Vol.33 (1), p.91-100
Hauptverfasser:	Pandey, Anoop Kumar, Shukla, D. V., Narayan, Vijay, Singh, Vijay, Dwivedi, Apoorva
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Chemistry and Materials Science Computer Applications in Chemistry Energy of dissociation Free energy Heat of formation Original Research Physical Chemistry Sulfuric acid Theoretical and Computational Chemistry Transition metals Vapor phases
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