Superhalogens as Building Blocks of Super Lewis Acids

Reddy, G. Naaresh; Parida, Rakesh; Jena, Puru; Jana, Madhurima; Giri, Santanab

doi:10.1002/cphc.201900267

Title: Superhalogens as Building Blocks of Super Lewis Acids

Journal Article · Tue Apr 16 00:00:00 EDT 2019 · ChemPhysChem

DOI:https://doi.org/10.1002/cphc.201900267· OSTI ID:1610317

Reddy, G. Naaresh ^[1]; Parida, Rakesh ^[1]; Jena, Puru ^[2]; Jana, Madhurima ^[1];

^[3]

National Institute of Technology (India)
Virginia Commonwealth Univ., Richmond, VA (United States)
Haldia Institute of Technology (India)

Abstract Lewis acids play an important role in synthetic chemistry. Using first‐principle calculations on some newly designed molecules containing boron and organic heterocyclic superhalogen ligands, we show that the acid strength depends on the charge of the central atom as well as on the ligands attached to it. In particular, the strength of the Lewis acid increases with increasing electron withdrawing power of the ligand. With this insight, we highlight the importance of superhalogen‐based ligands in the design of strong Lewis acids. Calculated fluoride ion affinity (FIA) values of B[C ₂ BNO(CN) ₃ ] ₃ and B[C ₂ BNS(CN) ₃ ] ₃ show that these are super Lewis acids.

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Research Organization:: Virginia Commonwealth Univ., Richmond, VA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-96ER45579

OSTI ID:: 1610317

Alternate ID(s):: OSTI ID: 1545404

Journal Information:: ChemPhysChem, Vol. 20, Issue 12; ISSN 1439-4235

Publisher:: ChemPubSoc EuropeCopyright Statement

Country of Publication:: United States

Language:: English

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