Enumeration and classification of coronoid hydrocarbons

Brunvoll, J.; Cyvín, S. J.; Cyvin, Bjørg N.

doi:10.1021/ci00053a004

Cited by 67 publications

(37 citation statements)

References 7 publications

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“…) and C=C adsorptions (at 1408 cm À1 ), which are in good agreement with those of Cp 2 Fe (Figure 1 a), [21] is also clearly observed. The color of the sample changes from white to yellow, which further indicates that the Cp 2 Fe molecules are only adsorbed onto the external surface of the HY zeolite and the acidic sites in the supercages (hereafter denoted as Cp 2 Fe/HY).…”

supporting

confidence: 86%

A Mononuclear Cyclopentadiene–Iron Complex Grafted in the Supercages of HY Zeolite: Synthesis, Structure, and Reactivity

Long

Wang

Zhang

et al. 2007

Chemistry A European J

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The reaction of ferrocene with the acidic hydroxy groups in the supercages of zeolite HY dehydrated at 673 K and the reactivity of the resultant surface species towards CO and O(2) were investigated by temperature-programmed decomposition (TPD) and reduction (TPR) and IR, X-ray absorption fine structure analysis (XAFS), and X-ray photoelectron (XP) spectroscopy. In situ FTIR, TPD, TPR, and chemical analysis reveal that the Cp(2)Fe molecule adsorbed on the zeolite surface loses one cyclopentadienyl group under vacuum at 423 K, which leads to the formation of a well-defined mononuclear surface Fe-C(5)H(6) complex grafted to two acidic sites and one ([triple bond]Si-O-Si[triple bond]) unit, as confirmed by the lack of Fe-Fe contributions in the EXAFS spectra. Each iron atom is coordinated, on average, to three oxygen atoms of the zeolite surface with a Fe--O distance of 2.00 A and to five carbon atoms with a Fe--C distance of 2.09 A. IR spectra indicate that the cyclopentadiene-iron species grafted on the surface of the zeolite is quite stable in vacuo or under an inert or hydrogen atmosphere below 423 K, and is also relatively stable under oxygen at room temperature. However, the cyclopentadiene ligand readily reacts with CO to form a compound containing carbonyl at 323 K, and even at room temperature. The single carbonyl band in the IR spectra provides evidence for the nearly uniform formation of a cyclopentadiene-iron species on the surface of the zeolite.

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supporting

confidence: 86%

A Mononuclear Cyclopentadiene–Iron Complex Grafted in the Supercages of HY Zeolite: Synthesis, Structure, and Reactivity

Long

Wang

Zhang

et al. 2007

Chemistry A European J

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“…20,43 These opposing influences within the Fc@CB7 complex would, at least in part, negate each other's effect on this intraligand mode. However, this is undoubtedly only part of the picture.…”

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confidence: 99%

Structural interrogation of a cucurbit[7]uril-ferrocene host–guest complex in the solid state: a Raman spectroscopy study

et al. 2013

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A complex formed between cucurbit[7]uril (CB7) and ferrocene (Fc) is investigated in the solid state using Raman spectroscopy.The Raman spectra are compared with those of the CB7 host and the Fc guest reference molecules, revealing significant frequency shifts of some vibrational modes upon complexation. These changes expose the structural and electronic interactions between the host and guest components and provide evidence that the ferrocene moiety resides within the cucurbituril cavity in the solid state environment.

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“…In order to achieve all the details of Table III, a new modification of our computer programs [7,17,18] was implemented. Rule 7 was employed in order to determine the par- …”

Section: Rulementioning

confidence: 99%

Theory of helicenic hydrocarbons. Part 5: Irreducible helicenes and their enumeration

et al. 1996

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Enumeration and classification of coronoid hydrocarbons

Cited by 67 publications

References 7 publications

A Mononuclear Cyclopentadiene–Iron Complex Grafted in the Supercages of HY Zeolite: Synthesis, Structure, and Reactivity

A Mononuclear Cyclopentadiene–Iron Complex Grafted in the Supercages of HY Zeolite: Synthesis, Structure, and Reactivity

Structural interrogation of a cucurbit[7]uril-ferrocene host–guest complex in the solid state: a Raman spectroscopy study

Theory of helicenic hydrocarbons. Part 5: Irreducible helicenes and their enumeration

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