FOROUTANNEJAD, Cina, Jan VÍCHA and Radek MAREK. Design of Stereoelectronically Promoted Super Lewis Acids and Unprecedented Chemistry of Their Complexes. Chemistry - A European Journal. Weinheim: Wiley, 2014, vol. 20, No 36, p. 11584-11590. ISSN 0947-6539. doi:10.1002/chem.201402582.
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Basic information
Original name Design of Stereoelectronically Promoted Super Lewis Acids and Unprecedented Chemistry of Their Complexes
Authors FOROUTANNEJAD, Cina (364 Islamic Republic of Iran, belonging to the institution), Jan VÍCHA (203 Czech Republic, belonging to the institution) and Radek MAREK (203 Czech Republic, guarantor, belonging to the institution).
Edition Chemistry - A European Journal, Weinheim, Wiley, 2014, 0947-6539.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10403 Physical chemistry
Country of publisher Germany
Confidentiality degree is not subject to a state or trade secret
WWW DOI: 10.1002/chem.201402582
Impact factor Impact factor: 5.731
RIV identification code RIV/00216224:14310/14:00073759
Organization unit Faculty of Science
Doi http://dx.doi.org/10.1002/chem.201402582
UT WoS 000341629800042
Keywords in English aluminum; bond theory; density functional calculations; Lewis acids; scandium
Tags AKR, kontrola MP, podil, rivok, SCOPUS
Tags International impact, Reviewed
Changed by Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 7. 11. 2014 17:27.
Abstract
A new family of stereoelectronically promoted aluminum and scandium super Lewis acids is introduced on the basis of state-of-the-art computations. Structures of these molecules are designed to minimize resonance electron donation to central metal atoms in the Lewis acids. Acidity of these species is evaluated on the basis of their fluoride-ion affinities relative to the antimony pentafluoride reference system. It is demonstrated that introduced changes in the stereochemistry of the designed ligands increase acidity considerably relative to Al and Sc complexes with analogous monodentate ligands. The high stability of fluoride complexes of these species makes them ideal candidates to be used as weakly coordinating anions in combination with highly reactive cations instead of conventional Lewis acid–fluoride complexes. Further, the interaction of all designed molecules with methane is investigated. All studied acids form stable pentavalent-carbon complexes with methane. In addition, interactions of the strongest acid of this family with very weak bases, namely, H2, N2, carbon oxides, and noble gases were investigated; it is demonstrated that this compound can form considerably stable complexes with the aforementioned molecules. To the best of our knowledge, carbonyl and nitrogen complexes of this species are the first hypothetical four-coordinated carbonyl and nitrogen complexes of aluminum. The nature of bonding in these systems is studied in detail by various bonding analysis approaches.
Links
ED1.1.00/02.0068, research and development projectName: CEITEC - central european institute of technology
EE2.3.30.0009, research and development projectName: Zaměstnáním čerstvých absolventů doktorského studia k vědecké excelenci
GAP206/12/0539, research and development projectName: Struktura a dynamika komplexů přechodných kovů a jejich interakce s kavitandy (Acronym: METALIN)
Investor: Czech Science Foundation
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