13C NMR patterns of C36H2x fullerene hydrides

Clémence Corminboeuf; Patrick W. Fowler; Thomas Heine

doi:10.1016/S0009-2614(02)00986-7

¹³C NMR patterns of C₃₆H_2x fullerene hydrides

Clémence Corminboeuf, Patrick W. Fowler, Thomas Heine

Department of Chemistry

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

1 Citation (Scopus)

Abstract

Calculations of ¹³C nuclear shieldings for low-energy isomers of C₃₆H_2x (x = 2, 3) suggest that it should be possible to use experimental ¹³C shifts, when these become available, to distinguish the isomeric form of the underlying fullerene cage and, in the case of isomers based on the six-fold symmetrical cylindrical fullerene cage 36:15, the degree of polar hydrogenation.

Original language	English
Pages (from-to)	405-410
Number of pages	6
Journal	Chemical Physics Letters
Volume	361
Issue number	5-6
DOIs	https://doi.org/10.1016/S0009-2614(02)00986-7
Publication status	Published - 2002 Aug 6

Bibliographical note

Funding Information:
The work is a part of Project 20-63496.00 of the Swiss National Science Foundation.

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Access to Document

10.1016/S0009-2614(02)00986-7

Cite this

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abstract = "Calculations of 13C nuclear shieldings for low-energy isomers of C36H2x (x = 2, 3) suggest that it should be possible to use experimental 13C shifts, when these become available, to distinguish the isomeric form of the underlying fullerene cage and, in the case of isomers based on the six-fold symmetrical cylindrical fullerene cage 36:15, the degree of polar hydrogenation.",

author = "Cl{\'e}mence Corminboeuf and Fowler, {Patrick W.} and Thomas Heine",

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AU - Corminboeuf, Clémence

AU - Fowler, Patrick W.

AU - Heine, Thomas

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N2 - Calculations of 13C nuclear shieldings for low-energy isomers of C36H2x (x = 2, 3) suggest that it should be possible to use experimental 13C shifts, when these become available, to distinguish the isomeric form of the underlying fullerene cage and, in the case of isomers based on the six-fold symmetrical cylindrical fullerene cage 36:15, the degree of polar hydrogenation.

AB - Calculations of 13C nuclear shieldings for low-energy isomers of C36H2x (x = 2, 3) suggest that it should be possible to use experimental 13C shifts, when these become available, to distinguish the isomeric form of the underlying fullerene cage and, in the case of isomers based on the six-fold symmetrical cylindrical fullerene cage 36:15, the degree of polar hydrogenation.

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