Diphenylmethane fulleroid C73H10: Am1 computational study

Zdenek Slanina, Filip Uhlik, Jean Pierre Fran§ois, Ludwik Adamowicz

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Diphenylmethane fulleroid C73H10 is studied by means of the AM1 quantum-chemical method. Full geometry optimization of its C2vstructure is performed together with vibrational harmonic analysis. The computed length of the C-C bond between two cage-hexagons bridged by the tetrahedral C atom is 1.565 A. Vibrational frequencies with a substantial IR intensity are reported.

Original languageEnglish (US)
Pages (from-to)189-198
Number of pages10
JournalFullerene Science and Technology
Volume1
Issue number2
DOIs
StatePublished - May 1 1993

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harmonic analysis
Harmonic analysis
hexagons
Vibrational spectra
Atoms
optimization
Geometry
geometry
atoms
diphenylmethane

ASJC Scopus subject areas

  • Chemical Engineering(all)

Cite this

Diphenylmethane fulleroid C73H10 : Am1 computational study. / Slanina, Zdenek; Uhlik, Filip; Fran§ois, Jean Pierre; Adamowicz, Ludwik.

In: Fullerene Science and Technology, Vol. 1, No. 2, 01.05.1993, p. 189-198.

Research output: Contribution to journalArticle

Slanina, Zdenek ; Uhlik, Filip ; Fran§ois, Jean Pierre ; Adamowicz, Ludwik. / Diphenylmethane fulleroid C73H10 : Am1 computational study. In: Fullerene Science and Technology. 1993 ; Vol. 1, No. 2. pp. 189-198.
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