Peroxo compounds

Käss, Dieter; Oberhammer, Heinz; Brandes, Dietmar; Blaschette, Armand

doi:10.1016/0022-2860(77)80006-9

Cited by 67 publications

(21 citation statements)

References 29 publications

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“…A similar substantial reduction in interbond angle at O has been observed on going from (MeaSi)20 (Cs/lkv/lri, Wagner, G6m6ry, Mijlhoff, Rozsondai & Hargittai, 1976) to (Me3Si)20 2 (K/iss, Oberhammer, Brandes & Blaschette, 1977): in this case also the wider angle in the oxo compound can be ascribed to steric factors.…”

Section: Bis(triphenylmethyl) Peroxidesupporting

confidence: 60%

The meso condensation dimer from 2-(3-bromopropyl)-6-hydroxy-2-methyl-1-indanone

Murray‐Rust¹,

Murray‐Rust²

1979

Acta Crystallogr Sect B

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Section: Bis(triphenylmethyl) Peroxidesupporting

confidence: 60%

The meso condensation dimer from 2-(3-bromopropyl)-6-hydroxy-2-methyl-1-indanone

Murray‐Rust¹,

Murray‐Rust²

1979

Acta Crystallogr Sect B

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“…[40] Di-tert-butyl peroxide is often used as an initiator in radical chain reactions, due to the labile nature of the OÀO bond. The vibrationally averaged value for the dihedral angle in the tert-butyl derivative, f a = 165.8(2.4)8, is not conclusive of the equilibrium structure.…”

Section: Me 3 Co-ocme 3 and Me 3 Sio-osimementioning

confidence: 99%

Gas Phase Structures of Peroxides: Experiments and Computational Problems

Oberhammer

2014

ChemPhysChem

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Gas-phase structures of several organic and inorganic peroxides X-O-O-X and X-O-O-X', which have been determined experimentally by gas electron diffraction and/or microwave spectroscopy, are discussed. The OO bond length in these peroxides varies from 1.481(8) Å in Me3 SiOOSiMe3 to 1.214(2) Å in FOOF and the dihedral angle ϕ(XO-OX) between 0° in HC(O)O-OH and near 180° in Bu(t) O-OBu(t) . Some of the peroxides cause problems for quantum chemistry, since several computational methods fail to reproduce the experimental structures. Extreme examples are MeO-OMe and FO-OF. In the case of MeO-OMe only about half of the more than 100 computational methods reported in the literature reproduce the experimentally determined double-minimum shape of the torsional potential around the OO bond correctly. For FO-OF only a small number of close to 200 computational methods reproduce the OO and OF bond lengths better than ±0.02 Å.

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“…(4)]. MW [6] XRD/ND [28] 145.3 122.5 [6,26] GED [29] MW [30] XRD [31] 122.9 87.6 [24] H 3 C1 45.7 (12) 135 (5) [c] GED [6] 145.9 180.0 [c] [23] F 3 C1 41.9 (20) 123.3(4.0)G ED [25] 144 GED [27] XRD [32] 145.9 150.1 [21] Die ersten molekularen Strukturen im Festkçrper von perfluorierten Peroxiden konnten von 1a und 1b nach Insitu-Kristallisation auf dem Diffraktometer bei 283 Kb eziehungsweise 270 Kerhalten werden.…”

Section: Angewandte Chemieunclassified

Keine Scheu vor perfluorierten Peroxiden: Synthese und Strukturen von überraschend inerten Perfluoralkylperoxiden

Nissen¹,

Stüker²,

Drews³

et al. 2019

Angewandte Chemie

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Wirb erichten über die Festkçrperstrukturen von Bis(nonafluor-tert-butyl)peroxid [(F 3 C) 3 CO] 2 und Bis(undecafluor-2-methyl-2-butyl)peroxid [(C 2 F 5 )(F 3 C) 2 CO] 2 .D iese Peroxide wurden über die Reaktion des jeweiligen Hypofluorits mit fluorierter Silberwolle dargestellt. Ihre nach In-situ-Kristallisation erhaltenen Strukturen weisen aufgrund der sterischa nspruchsvollen Perfluoralkylgruppen ungewçhnliche COOC-Diederwinkel von 1808 8,s owie verlängerte O-O-Abstände auf.D ie perfluorierten Alkylperoxides ind weder schock-(> 40 J) nochr eibungsempfindlich( > 360 N). Darüber hinaus reagieren sie nicht mit Halogensäuren (HX, X = F, Cl, Br,I)oder elementaren Halogenen (X 2 ). Ferrocen wird von [(F 3 C) 3 CO] 2 zu [Fe III Cp 2 ][OC(CF 3 ) 3 ]o xidiert.

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Peroxo compounds

Cited by 67 publications

References 29 publications

The meso condensation dimer from 2-(3-bromopropyl)-6-hydroxy-2-methyl-1-indanone

The meso condensation dimer from 2-(3-bromopropyl)-6-hydroxy-2-methyl-1-indanone

Gas Phase Structures of Peroxides: Experiments and Computational Problems

Keine Scheu vor perfluorierten Peroxiden: Synthese und Strukturen von überraschend inerten Perfluoralkylperoxiden

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