Small and Medium Rings, 77 1)  Nonconjugated π,π Interactions Approaching Classical π,π Conjugation – PE‐Spectroscopical Investigation of the 7,8;12,19‐Diseco‐1,16‐dodecahedradiene System | Zendy

Elsässer Dominik | Zendy; Hassenrück Karin | Zendy; Martin HansDieter | Zendy; Mayer Bernhard | Zendy; Lutz Georg | Zendy; Prinzbach Horst | Zendy

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Small and Medium Rings, 77 1) Nonconjugated π,π Interactions Approaching Classical π,π Conjugation – PE‐Spectroscopical Investigation of the 7,8;12,19‐Diseco‐1,16‐dodecahedradiene System

Author(s) -

Elsässer Dominik,

Hassenrück Karin,

Martin HansDieter,

Mayer Bernhard,

Lutz Georg,

Prinzbach Horst

Publication year - 1991

Publication title -

chemische berichte

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.667

H-Index - 136

eISSN - 1099-0682

pISSN - 0009-2940

DOI - 10.1002/cber.19911241230

Subject(s) - chemistry , spectroscopy , space (punctuation) , value (mathematics) , computational chemistry , crystallography , stereochemistry , physics , quantum mechanics , philosophy , linguistics , machine learning , computer science

Transannular (orbital) interactions in compounds 1 – 9 are studied by means of He( I α)‐PE spectroscopy. Unusually strong through‐space‐dominated π,π interaction is found to be operative in the nonconjugated 1,6‐dienes 1, 2, 7 , and 8 . The π,π splitting of 1.9 eV for disecododecahedradiene 1 is even surpassed by the record value of 2.2 eV for disecodienedione 2 , which almost equals that in 1,3‐butadiene (2.46 eV). The experimental results are explained by computational methods, especially by analyses of the precanonical MOs.

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