Normal vibrational modes of buckminsterfullerene

Normal vibrational modes of buckminsterfullerene

The MNDO approximation is employed to compute normal modes of vibration for the proposed C/sub 60/ isomer known as buckminsterullerene. Group theoretical invariance theorems are derived to aid in the interpretation of the normal modes. One particularly interesting mode (the sole A/sub u/ vibration)...

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Veröffentlicht in:J. Phys. Chem.; (United States) 1988-04, Vol.92 (8), p.2141-2145
Hauptverfasser: Stanton, Richard E, Newton, Marshall D
Format: Artikel
Sprache:eng
Schlagworte:
400201 - Chemical & Physicochemical Properties
Atomic and molecular clusters
Atomic and molecular physics
BOND ANGLE
BOND LENGTHS
CARBON
CARBON COMPOUNDS
DATA
DIMENSIONS
ELEMENTAL MINERALS
ELEMENTS
ENERGY LEVELS
Exact sciences and technology
EXCITED STATES
GRAPHITE
INFORMATION
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
LENGTH
MINERALS
NONMETALS
NORMAL-MODE ANALYSIS
NUMERICAL DATA
OSCILLATOR STRENGTHS
Physics
Studies of special atoms, molecules and their ions
clusters
THEORETICAL DATA
VIBRATIONAL STATES
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Beschreibung
Zusammenfassung:The MNDO approximation is employed to compute normal modes of vibration for the proposed C/sub 60/ isomer known as buckminsterullerene. Group theoretical invariance theorems are derived to aid in the interpretation of the normal modes. One particularly interesting mode (the sole A/sub u/ vibration) consists of a rotary oscillation of the pentagonal rings of C/sub 60/, with all rings rotating in the same direction.
ISSN:0022-3654
1541-5740
DOI:10.1021/j100319a012