From overcrowded polycyclic aromatic enes to semifullerenes

P. Ulrich Biedermann; Tien Yau Luh; David T.C. Weng; Chi Hong Kuo; John J. Stezowski; Israel Agranat

doi:10.1080/10406639608544679

From overcrowded polycyclic aromatic enes to semifullerenes

P. Ulrich Biedermann^*, Tien Yau Luh, David T.C. Weng, Chi Hong Kuo, John J. Stezowski, Israel Agranat

^*Corresponding author for this work

Institute of Chemistry

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

Abstract

Bi-9H-fluoren-9-ylidene (2) and bi-4H-cyclopenta[def]phenanthren-4-ylidene (5) are potential starting materials for the preparation of bowl-shaped fragments of fullerenes. Semiempirical MNDO-PM3 calculations of C₂₆H_n and C₃₀H_n (n = 12, 14, 16) species 2-12 are used to analyze energetic effects on the dehydrocyclization and isomerization reactions of these species. Oxidative photocyclizations on Z-2,2′-bridged derivatives of 2 and 5 are briefly outlined.

Original language	English
Pages (from-to)	301-304
Number of pages	4
Journal	Polycyclic Aromatic Compounds
Volume	11
Issue number	1-4
DOIs	https://doi.org/10.1080/10406639608544679
State	Published - 1996

Keywords

Non-planar PAHs
Overcrowding
Photocyclization
Semiempirical calculations
Strain

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10.1080/10406639608544679

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AU - Biedermann, P. Ulrich

AU - Luh, Tien Yau

AU - Weng, David T.C.

AU - Kuo, Chi Hong

AU - Stezowski, John J.

AU - Agranat, Israel

PY - 1996

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AB - Bi-9H-fluoren-9-ylidene (2) and bi-4H-cyclopenta[def]phenanthren-4-ylidene (5) are potential starting materials for the preparation of bowl-shaped fragments of fullerenes. Semiempirical MNDO-PM3 calculations of C26Hn and C30Hn (n = 12, 14, 16) species 2-12 are used to analyze energetic effects on the dehydrocyclization and isomerization reactions of these species. Oxidative photocyclizations on Z-2,2′-bridged derivatives of 2 and 5 are briefly outlined.

KW - Non-planar PAHs

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KW - Semiempirical calculations

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From overcrowded polycyclic aromatic enes to semifullerenes

Abstract

Keywords

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