Structural and Energetic Features of Group 13 Element Trispentafluorophenyl Complexes with Diethyl Ether

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Structural and Energetic Features of Group 13 Element Trispentafluorophenyl Complexes with Diethyl Ether. / Kazakov , Igor V. ; Lisovenko, Anna S. ; Shcherbina , Nadezhda A. ; Kornyakov , Ilya V. ; Gugin, Nikita Y. ; Kondrat'ev , Yurii V. ; Chernysheva , Anna M. ; Zavgorodnii , Artem S. ; Timoshkin, Alexey Y. .

в: European Journal of Inorganic Chemistry, Том 2020, № 47, 20.12.2020, стр. 4442-4449.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{c942fe2886844ab9b23714d1a24c173d,

title = "Structural and Energetic Features of Group 13 Element Trispentafluorophenyl Complexes with Diethyl Ether",

abstract = "The complexes of group 13 element trispentafluorophenyl derivatives E(C6F5)3 (E = B, Al, Ga, In) with diethyl ether of 1:1 composition have been synthesized and structurally characterized. All compounds are isostructural. Thermal stability studies reveal that at elevated temperatures all complexes decompose with pentafluorobenzene evolution. The geometries and thermodynamic characteristics for the dissociation reactions of the compounds have been computed using three DFT methods. The 1H NMR α‐proton chemical shifts for the coordinated ether in deuteriobenzene and in CD2Cl2 solutions correlate with gas phase dissociation enthalpies of the complexes. Potentially high Lewis acidity of B(C6F5)3 is hindered by the large pyramidalization energy of the acceptor moiety.",

keywords = "Trispentafluorophenyl derivatives, Group 13 elements, Lewis acids, Structure elucidation, Density functional calculations",

author = "Kazakov, {Igor V.} and Lisovenko, {Anna S.} and Shcherbina, {Nadezhda A.} and Kornyakov, {Ilya V.} and Gugin, {Nikita Y.} and Kondrat'ev, {Yurii V.} and Chernysheva, {Anna M.} and Zavgorodnii, {Artem S.} and Timoshkin, {Alexey Y.}",

note = "Publisher Copyright: {\textcopyright} 2020 Wiley-VCH GmbH",

year = "2020",

month = dec,

day = "20",

doi = "10.1002/ejic.202000815",

language = "English",

volume = "2020",

pages = "4442--4449",

journal = "Berichte der deutschen chemischen Gesellschaft",

issn = "0365-9496",

publisher = "Wiley-Blackwell",

number = "47",

}

RIS

TY - JOUR

T1 - Structural and Energetic Features of Group 13 Element Trispentafluorophenyl Complexes with Diethyl Ether

AU - Kazakov , Igor V.

AU - Lisovenko, Anna S.

AU - Shcherbina , Nadezhda A.

AU - Kornyakov , Ilya V.

AU - Gugin, Nikita Y.

AU - Kondrat'ev , Yurii V.

AU - Chernysheva , Anna M.

AU - Zavgorodnii , Artem S.

AU - Timoshkin, Alexey Y.

PY - 2020/12/20

Y1 - 2020/12/20

N2 - The complexes of group 13 element trispentafluorophenyl derivatives E(C6F5)3 (E = B, Al, Ga, In) with diethyl ether of 1:1 composition have been synthesized and structurally characterized. All compounds are isostructural. Thermal stability studies reveal that at elevated temperatures all complexes decompose with pentafluorobenzene evolution. The geometries and thermodynamic characteristics for the dissociation reactions of the compounds have been computed using three DFT methods. The 1H NMR α‐proton chemical shifts for the coordinated ether in deuteriobenzene and in CD2Cl2 solutions correlate with gas phase dissociation enthalpies of the complexes. Potentially high Lewis acidity of B(C6F5)3 is hindered by the large pyramidalization energy of the acceptor moiety.

AB - The complexes of group 13 element trispentafluorophenyl derivatives E(C6F5)3 (E = B, Al, Ga, In) with diethyl ether of 1:1 composition have been synthesized and structurally characterized. All compounds are isostructural. Thermal stability studies reveal that at elevated temperatures all complexes decompose with pentafluorobenzene evolution. The geometries and thermodynamic characteristics for the dissociation reactions of the compounds have been computed using three DFT methods. The 1H NMR α‐proton chemical shifts for the coordinated ether in deuteriobenzene and in CD2Cl2 solutions correlate with gas phase dissociation enthalpies of the complexes. Potentially high Lewis acidity of B(C6F5)3 is hindered by the large pyramidalization energy of the acceptor moiety.

KW - Trispentafluorophenyl derivatives

KW - Group 13 elements

KW - Lewis acids

KW - Structure elucidation

KW - Density functional calculations

UR - https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/ejic.202000815

UR - http://www.scopus.com/inward/record.url?scp=85096645638&partnerID=8YFLogxK

U2 - 10.1002/ejic.202000815

DO - 10.1002/ejic.202000815

M3 - Article

VL - 2020

SP - 4442

EP - 4449

JO - Berichte der deutschen chemischen Gesellschaft

JF - Berichte der deutschen chemischen Gesellschaft

SN - 0365-9496

IS - 47

ER -

ID: 70820102