Diphenylmethane fulleroid C73H10: Am1 computational study

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

doi:10.1080/10641229308018362

Diphenylmethane fulleroid C₇₃H₁₀: Am1 computational study

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

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

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 language	English (US)
Pages (from-to)	189-198
Number of pages	10
Journal	Fullerene Science and Technology
Volume	1
Issue number	2
DOIs	https://doi.org/10.1080/10641229308018362
State	Published - May 1 1993

ASJC Scopus subject areas

General Chemical Engineering

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10.1080/10641229308018362

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title = "Diphenylmethane fulleroid C73H10: Am1 computational study",

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.",

author = "Zdenek Slanina and Filip Uhlik and Fran§ois, \{Jean Pierre\} and Ludwik Adamowicz",

note = "Funding Information: This work was supported by the National find for Scientific Research of",

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AU - Slanina, Zdenek

AU - Uhlik, Filip

AU - Fran§ois, Jean Pierre

AU - Adamowicz, Ludwik

N1 - Funding Information: This work was supported by the National find for Scientific Research of

PY - 1993/5/1

Y1 - 1993/5/1

N2 - 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.

AB - 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.

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Diphenylmethane fulleroid C₇₃H₁₀: Am1 computational study

Abstract

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