In Search of Flexible Molecular Wires with Near Conformer-Independent Conjugation and Conductance: A Computational Study

R Emanuelsson, H Löfås, J Zhu…

Index: Emanuelsson, Rikard; Wallner, Andreas; Ng, Eugene A. M.; Smith, Joshua R.; Nauroozi, Djawed; Ott, Sascha; Ottosson, Henrik Angewandte Chemie - International Edition, 2013 , vol. 52, # 3 p. 983 - 987 Angew. Chem., 2013 , vol. 125, # 3 p. 1017 - 1021,5

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Citation Number: 5

Abstract

Oligomers of 1, 4-disila/germa/stannacyclohexa-2, 5-dienes as well as all-carbon 1, 4- cyclohexadienes connected via E E single bonds (E= C, Si, Ge, or Sn) were studied through quantum chemical calculations in an effort to identify conformationally flexible