2021
DOI: 10.1002/anie.202016455
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Evidence of the Lewis‐Amphoteric Character of Tris(pentafluoroethyl)silanide, [Si(C2F5)3]

Abstract: According to af irst view on the geometrical and electronic structure of the tris(pentafluoroethyl)silanide,t his anion appears as aLewis base.Quantum chemical calculations on perfluoroalkylated silanides show significantly lower HO-MO and LUMO energy levels in comparison to their nonfluorinated counterparts,whichimplies reduced Lewis basicity and increased Lewis acidity of the [Si(C 2 F 5 ) 3 ] À ion. With these findings and aH OMO-LUMO gap of 4.80 eV similar to Nheterocyclic silylenes (NHSis), perfluoroalkyl… Show more

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Cited by 19 publications
(36 citation statements)
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“…Abbildung 2. Molekülstruktur vom nicht fehlgeordnetenA nion in [EtP 4 H][Si(C 2 F 5 ) 3 ]i mF estkçrper [45]. Schwingungsellipsoidesind mit 50 %A ufenthaltswahrscheinlichkeit dargestellt.…”
unclassified
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“…Abbildung 2. Molekülstruktur vom nicht fehlgeordnetenA nion in [EtP 4 H][Si(C 2 F 5 ) 3 ]i mF estkçrper [45]. Schwingungsellipsoidesind mit 50 %A ufenthaltswahrscheinlichkeit dargestellt.…”
unclassified
“…Abbildung 3. Molekülstruktur des nicht fehlgeordnetenAnions [Si-(C 2 F 5 ) 3 (h 2 -CPh 2 O)] À (1b)i mKristall mit [tmgP 1 H] + als Gegenion [45]. Schwingungsellipsoides ind mit 50 %Aufenthaltswahrscheinlichkeit dargestellt.D as Kation und die Wasserstoffatome wurden nicht abgebildet.Ausgewählte Bindungslängen[pm] und -winkel [8 8]: Si1-O1 165.5-(2), C26-O1 152.0(4), Si1-C26 192.6(3);O 1-Si1-C26 49.5(1), C26-O1-Si1 74.6(2), O1-C26-Si1 55.9(1).…”
unclassified
“…The tris(pentafluoroethyl)silanide ion, [Si(C 2 F 5 ) 3 ] − , as we recently presented, resembles silylenes with respect to its Lewis amphoteric character: it reacts as a Lewis base as well as a Lewis acid. [10] This unique behavior is due to the electron‐withdrawing character of the perfluoroalkyl substituents, which results in energetically low‐lying HOMO and LUMO compared to those in its non‐fluorinated counterpart. [10] Calculations of the Kohn‐Sham and natural bond orbitals (NBOs) of trimethylsilanolate, [Si(CH 3 ) 3 O] − , and tris(trifluoromethyl)silanolate, [Si(CF 3 ) 3 O] − , anions provide ambiguous results (cf.…”
mentioning
confidence: 99%
“… [10] This unique behavior is due to the electron‐withdrawing character of the perfluoroalkyl substituents, which results in energetically low‐lying HOMO and LUMO compared to those in its non‐fluorinated counterpart. [10] Calculations of the Kohn‐Sham and natural bond orbitals (NBOs) of trimethylsilanolate, [Si(CH 3 ) 3 O] − , and tris(trifluoromethyl)silanolate, [Si(CF 3 ) 3 O] − , anions provide ambiguous results (cf. Supporting Information).…”
mentioning
confidence: 99%
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