Fullerene C50 isomers: Temperature-induced interchange of relative stabilities

Zdeněk Slanina; Ludwik Adamowicz; Dirk Bakowies; Walter Thiel

doi:10.1016/0040-6031(92)85169-V

Fullerene C₅₀ isomers: Temperature-induced interchange of relative stabilities

Zdeněk Slanina
, Ludwik Adamowicz
, Dirk Bakowies
, Walter Thiel

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

15 Scopus citations

Abstract

The species C₅₀ is treated as a system composed of three local energy minima (D_5h, D₃, and C_2v) found in recent modified neglect of diatomic overlap (MNDO) calculations. Although the D_5h species corresponds to the deepest minimum it is the most stable structure only up to about 1390 K. Beyond this temperature the D₃ species becomes relatively more populous.

Original language	English (US)
Pages (from-to)	249-254
Number of pages	6
Journal	Thermochimica Acta
Volume	202
Issue number	C
DOIs	https://doi.org/10.1016/0040-6031(92)85169-V
State	Published - Jun 19 1992

ASJC Scopus subject areas

Instrumentation
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1016/0040-6031(92)85169-V

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title = "Fullerene C50 isomers: Temperature-induced interchange of relative stabilities",

abstract = "The species C50 is treated as a system composed of three local energy minima (D5h, D3, and C2v) found in recent modified neglect of diatomic overlap (MNDO) calculations. Although the D5h species corresponds to the deepest minimum it is the most stable structure only up to about 1390 K. Beyond this temperature the D3 species becomes relatively more populous.",

author = "Zden{\v e}k Slanina and Ludwik Adamowicz and Dirk Bakowies and Walter Thiel",

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T2 - Temperature-induced interchange of relative stabilities

AU - Slanina, Zdeněk

AU - Adamowicz, Ludwik

AU - Bakowies, Dirk

AU - Thiel, Walter

PY - 1992/6/19

Y1 - 1992/6/19

N2 - The species C50 is treated as a system composed of three local energy minima (D5h, D3, and C2v) found in recent modified neglect of diatomic overlap (MNDO) calculations. Although the D5h species corresponds to the deepest minimum it is the most stable structure only up to about 1390 K. Beyond this temperature the D3 species becomes relatively more populous.

AB - The species C50 is treated as a system composed of three local energy minima (D5h, D3, and C2v) found in recent modified neglect of diatomic overlap (MNDO) calculations. Although the D5h species corresponds to the deepest minimum it is the most stable structure only up to about 1390 K. Beyond this temperature the D3 species becomes relatively more populous.

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U2 - 10.1016/0040-6031(92)85169-V

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M3 - Article

AN - SCOPUS:2342590276

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Fullerene C₅₀ isomers: Temperature-induced interchange of relative stabilities

Abstract

ASJC Scopus subject areas

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