2004
DOI: 10.1016/j.chemphys.2003.11.030
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Correlating substituent parameter values to electron transport properties of molecules

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Cited by 12 publications
(14 citation statements)
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“…This trend of increasing conductance generally coincided with the electron‐donating ability of each substituent X, and thus the conductance values contributed by each phenyl group with a para ‐substituent X were plotted over the Hammet constant (σ) for each X (Figure 4), which was originally developed to correlate the substituent effect of aromatic compounds with their chemical reactivity 33. Contrary to the theoretical prediction in a related study, it did not show a linear relationship between the conductance and its Hammet constant 34…”
Section: Conductance Of the Carotenoid Wires 2 And 3 And Their λMax mentioning
confidence: 92%
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“…This trend of increasing conductance generally coincided with the electron‐donating ability of each substituent X, and thus the conductance values contributed by each phenyl group with a para ‐substituent X were plotted over the Hammet constant (σ) for each X (Figure 4), which was originally developed to correlate the substituent effect of aromatic compounds with their chemical reactivity 33. Contrary to the theoretical prediction in a related study, it did not show a linear relationship between the conductance and its Hammet constant 34…”
Section: Conductance Of the Carotenoid Wires 2 And 3 And Their λMax mentioning
confidence: 92%
“…[33] Contrary to the theoretical prediction in a related study, it did not show a linear relationship between the conductance and its Hammet constant. [34] We believe the phenyl groups at C-13 and C-13' of the carotenoids practically do not participate in the conjugation with the conjugated polyene based on the analysis of the UV spectra of the carotenoids 2 and 3 (column 4, Table 1). Attachment of one more phenyl group to the C-13' position of the carotenoids 3 allows the bathochromic shifts of l max only by 7-9 nm (the difference between 2 and 3), which are a little bigger than the value observed by an alkyl substituent (e.g., 5 nm) but significantly smaller than the one observed by a conjugated carbonÀcarbon double bond (e.g., 30 nm).…”
mentioning
confidence: 97%
“…The Hammett methodology is often criticized because of its essentially empirical foundation, but it constitutes an interesting way of investigating more specifically the influence of the R substituent on the various electronic properties of the complexes [RuCl-(CO)(PMe 3 ) 3 (CH@CH-C 6 H 4 -R-p)] (R = H, CH 3 , OCH 3 , NO 2 , NH 2 , NMe 2 ) [4b, 37,38]. Therefore, we have sought linear redox potential relationships with the electronic substituent parameters.…”
Section: Correlation Between the Substituent Effect And The Oxidationmentioning
confidence: 99%
“…Previous work has confirmed this critical influence in comparative studies attaching different sidegroups to a given single scaffold. 41,[48][49][50][51][52][53][54] Building on this empirical concept, we now use our extensive database to investigate whether there are molecular sidegroups that generally lower the reorganization energy, independent of the scaffold they are attached to. We achieve this with the same techniques of statistical analysis as before for the scaffolds, i.e.…”
Section: Molecular Sidegroupsmentioning
confidence: 99%