Design of Stereoelectronically Promoted Super Lewis Acids and
Unprecedented Chemistry of Their Complexes

J 2014

Design of Stereoelectronically Promoted Super Lewis Acids and Unprecedented Chemistry of Their Complexes

FOROUTANNEJAD, Cina, Jan VÍCHA a Radek MAREK

Základní údaje

Originální název

Design of Stereoelectronically Promoted Super Lewis Acids and Unprecedented Chemistry of Their Complexes

Autoři

FOROUTANNEJAD, Cina (364 Írán, domácí), Jan VÍCHA (203 Česká republika, domácí) a Radek MAREK (203 Česká republika, garant, domácí)

Vydání

Chemistry - A European Journal, Weinheim, Wiley, 2014, 0947-6539

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10403 Physical chemistry

Stát vydavatele

Německo

Utajení

není předmětem státního či obchodního tajemství

Odkazy

DOI: 10.1002/chem.201402582

Impakt faktor

Impact factor: 5.731

Kód RIV

RIV/00216224:14310/14:00073759

Organizační jednotka

Přírodovědecká fakulta

DOI

http://dx.doi.org/10.1002/chem.201402582

UT WoS

000341629800042

Klíčová slova anglicky

aluminum; bond theory; density functional calculations; Lewis acids; scandium

Štítky

AKR, kontrola MP, podil, rivok, SCOPUS

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 7. 11. 2014 17:27, prof. RNDr. Radek Marek, Ph.D.

Anotace

V originále

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.

Návaznosti

ED1.1.00/02.0068, projekt VaV

Název: CEITEC - central european institute of technology

EE2.3.30.0009, projekt VaV

Název: Zaměstnáním čerstvých absolventů doktorského studia k vědecké excelenci

GAP206/12/0539, projekt VaV

Název: Struktura a dynamika komplexů přechodných kovů a jejich interakce s kavitandy (Akronym: METALIN)

Investor: Grantová agentura ČR, Struktura a dynamika komplexů přechodných kovů a jejich interakce s kavitandy

Přiložené soubory

CEJ14_20_11584.pdf

Požádat o autorskou verzi souboru

Citovat

FOROUTANNEJAD, Cina, Jan VÍCHA a Radek MAREK. Design of Stereoelectronically Promoted Super Lewis Acids and Unprecedented Chemistry of Their Complexes. Chemistry - A European Journal. Weinheim: Wiley, 2014, roč. 20, č. 36, s. 11584-11590. ISSN 0947-6539. Dostupné z: https://dx.doi.org/10.1002/chem.201402582.

@article{1193313,
   author = {Foroutannejad, Cina and Vícha, Jan and Marek, Radek},
   article_location = {Weinheim},
   article_number = {36},
   doi = {http://dx.doi.org/10.1002/chem.201402582},
   keywords = {aluminum; bond theory; density functional calculations; Lewis acids; scandium},
   language = {eng},
   issn = {0947-6539},
   journal = {Chemistry - A European Journal},
   title = {Design of Stereoelectronically Promoted Super Lewis Acids and Unprecedented Chemistry of Their Complexes},
   url = {http://dx.doi.org/10.1002/chem.201402582},
   volume = {20},
   year = {2014}
}

TY  - JOUR
ID  - 1193313
AU  - Foroutannejad, Cina - Vícha, Jan - Marek, Radek
PY  - 2014
TI  - Design of Stereoelectronically Promoted Super Lewis Acids and Unprecedented Chemistry of Their Complexes
JF  - Chemistry - A European Journal
VL  - 20
IS  - 36
SP  - 11584-11590
EP  - 11584-11590
PB  - Wiley
SN  - 09476539
KW  - aluminum
KW  - bond theory
KW  - density functional calculations
KW  - Lewis acids
KW  - scandium
UR  - http://dx.doi.org/10.1002/chem.201402582
L2  - http://dx.doi.org/10.1002/chem.201402582
N2  - 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.
ER  -

FOROUTANNEJAD, Cina, Jan VÍCHA a Radek MAREK. Design of Stereoelectronically Promoted Super Lewis Acids and Unprecedented Chemistry of Their Complexes. \textit{Chemistry - A European Journal}. Weinheim: Wiley, 2014, roč.~20, č.~36, s.~11584-11590. ISSN~0947-6539. Dostupné z: https://dx.doi.org/10.1002/chem.201402582.

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