TY - JOUR
T1 - Cyclic conjugation effects in cyclacenes
AU - Gutman, Ivan
AU - Ulrich Biedermann, P.
AU - Ivanov-Petrović, Vesna
AU - Agranat, Israel
PY - 1996
Y1 - 1996
N2 - Cyclic conjugation is studied in Hückel and Möbius cyclacenes as well as in a few other related open-chain and cyclic belt-shaped hydrocarbons (e.g., zig-zag cyclarenes). The main conclusions are that (a) the energy effect of the conjugation along the perimeter of cyclacenes is relatively large, (b) conjugation along the 6 -, 10 - and 14-membered cycles has a much greater effect, in spite of the fact that these cycles embrace bonds that formally are not involved in cyclic conjugation. Möbius cyclacenes are non-alternant hydrocarbons and their odd-cycles have a significant contribution to conjugation. The contribution of conjugation in individual cycles to the total resonance energy is briefly discussed.
AB - Cyclic conjugation is studied in Hückel and Möbius cyclacenes as well as in a few other related open-chain and cyclic belt-shaped hydrocarbons (e.g., zig-zag cyclarenes). The main conclusions are that (a) the energy effect of the conjugation along the perimeter of cyclacenes is relatively large, (b) conjugation along the 6 -, 10 - and 14-membered cycles has a much greater effect, in spite of the fact that these cycles embrace bonds that formally are not involved in cyclic conjugation. Möbius cyclacenes are non-alternant hydrocarbons and their odd-cycles have a significant contribution to conjugation. The contribution of conjugation in individual cycles to the total resonance energy is briefly discussed.
KW - Belt-shaped conjugated hydrocarbons
KW - Cyclacenes
KW - Cyclic conjugation
KW - Cyclopolyacenes
KW - Hückel
KW - Möbius
KW - Topological resonance energy
KW - Topology
KW - Zig-zag cyclarenes
UR - http://www.scopus.com/inward/record.url?scp=0003239437&partnerID=8YFLogxK
U2 - 10.1080/10406639608048345
DO - 10.1080/10406639608048345
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AN - SCOPUS:0003239437
SN - 1040-6638
VL - 8
SP - 189
EP - 202
JO - Polycyclic Aromatic Compounds
JF - Polycyclic Aromatic Compounds
IS - 2-3
ER -