Isomers of C707 dimer

T. Heine; F. Zerbetto; G. Seifert; P. W. Fowler

doi:10.1021/jp0036036

Isomers of C₇₀7 dimer

T. Heine, F. Zerbetto, G. Seifert, P. W. Fowler

Department of Chemistry

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

Abstract

Calculated binding energies and spectroscopic properties of C₇₀ dimers are presented. The two most stable isomers of the set of conceivable [2 + 2] cycloaddition products are isoenergetic, and both are compatible with NMR, infrared, and Raman data on the product recently synthesized by Lebedkin et al.

Original language	English
Pages (from-to)	1140-1143
Number of pages	4
Journal	Journal of Physical Chemistry A
Volume	105
Issue number	7
DOIs	https://doi.org/10.1021/jp0036036
Publication status	Published - 2001 Feb 22

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry

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10.1021/jp0036036

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title = "Isomers of C707 dimer",

abstract = "Calculated binding energies and spectroscopic properties of C70 dimers are presented. The two most stable isomers of the set of conceivable [2 + 2] cycloaddition products are isoenergetic, and both are compatible with NMR, infrared, and Raman data on the product recently synthesized by Lebedkin et al.",

author = "T. Heine and F. Zerbetto and G. Seifert and Fowler, {P. W.}",

year = "2001",

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AU - Heine, T.

AU - Zerbetto, F.

AU - Seifert, G.

AU - Fowler, P. W.

PY - 2001/2/22

Y1 - 2001/2/22

N2 - Calculated binding energies and spectroscopic properties of C70 dimers are presented. The two most stable isomers of the set of conceivable [2 + 2] cycloaddition products are isoenergetic, and both are compatible with NMR, infrared, and Raman data on the product recently synthesized by Lebedkin et al.

AB - Calculated binding energies and spectroscopic properties of C70 dimers are presented. The two most stable isomers of the set of conceivable [2 + 2] cycloaddition products are isoenergetic, and both are compatible with NMR, infrared, and Raman data on the product recently synthesized by Lebedkin et al.

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DO - 10.1021/jp0036036

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JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 7

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Isomers of C₇₀7 dimer

Abstract

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