Cross-Hyperconjugation: An Unexplored Orbital Interaction between π-Conjugated and Saturated Molecular Segments

Crossing a barrier: Molecules with saturated ER2 units (E=C or Si, R=electron‐releasing group) inserted between two π‐conjugated segments have electronic and optical properties that resemble those of cross‐conjugated molecules (see figure). This cross‐hyperconjugation provides a deeper understanding...

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Published inAngewandte Chemie International Edition Vol. 52; no. 3; pp. 983 - 987
Main Authors Emanuelsson, Rikard, Wallner, Andreas, Ng, Eugene A. M., Smith, Joshua R., Nauroozi, Djawed, Ott, Sascha, Ottosson, Henrik
Format Journal Article
LanguageEnglish
Published Weinheim WILEY-VCH Verlag 14.01.2013
WILEY‐VCH Verlag
Subjects
Barriers
Conjugation
cross-conjugation
Electronics
Group 14 elements
hyperconjugation
Nanostructure
Optical properties
optical tuning
Orbitals
Segments
Silicon
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Summary:Crossing a barrier: Molecules with saturated ER2 units (E=C or Si, R=electron‐releasing group) inserted between two π‐conjugated segments have electronic and optical properties that resemble those of cross‐conjugated molecules (see figure). This cross‐hyperconjugation provides a deeper understanding of the conjugation phenomenon, and is an alternative to cross‐conjugation in the design of molecules for nano and materials applications.
Bibliography:ark:/67375/WNG-DT7ZDKDT-3
We are grateful for support from the Swedish Research Council (Grant Nos. 2008-3710, 2009-362, and 2010-4858), Uppsala University through the U3MEC KoF07 initiative, and the Wenner-Gren Foundations, Göran Gustafsson Foundation, and American Scandinavia Foundation for fellowships to A.W. and J.R.S. The National Supercomputer Center (NSC) in Linköping, Sweden, and the Uppsala Multidisciplinary Center for Advanced Computational Science (UPPMAX), Uppsala, Sweden are acknowledged for generous allotment of computer time.
istex:88E7830D8396DC57AE1E5F08AC8D3CBE812B52AD
American Scandinavia Foundation
Swedish Research Council - No. 2008-3710; No. 2009-362; No. 2010-4858
Wenner-Gren Foundations
Göran Gustafsson Foundation
U3MEC KoF07
ArticleID:ANIE201206030
We are grateful for support from the Swedish Research Council (Grant Nos. 2008‐3710, 2009‐362, and 2010‐4858), Uppsala University through the U3MEC KoF07 initiative, and the Wenner‐Gren Foundations, Göran Gustafsson Foundation, and American Scandinavia Foundation for fellowships to A.W. and J.R.S. The National Supercomputer Center (NSC) in Linköping, Sweden, and the Uppsala Multidisciplinary Center for Advanced Computational Science (UPPMAX), Uppsala, Sweden are acknowledged for generous allotment of computer time.
ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:1433-7851
1521-3773
1521-3773
DOI:10.1002/anie.201206030