Substituent Effects In a Series of 1,7-C60(RF)2 Compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): Electron Affinities, Reduction Potentials, and E(LUMO) Values Are Not Always Correlated

May 1, 2012

Journal Article

Substituent Effects In a Series of 1,7-C60(RF)2 Compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): Electron Affinities, Reduction Potentials, and E(LUMO) Values Are Not Always Correlated

Abstract

Substituent effects are of paramount importance in virtually all fields of fundamental and applied chemistry. Classical and modern examples can be found in organic chemistry (Hammett1,2 parameters and Charton steric3 parameters), inorganic chemistry (trans effect and trans influence4,5), organometallic chemistry 15 (phosphine cone angles6,7), physical chemistry (linear free energy relationships and DFT8), biochemistry (protein tertiary structure9), medicinal chemistry (SAR maps10 and BioMAP analysis11), polymer chemistry (nonlinear optical12 and permeation properties13 and glass transition temperatures12-14), 20 and materials chemistry (stability and luminescent properties of electroluminescent devices15 and light-to-power conversion efficiencies of fullerene-derivative-based OPV devices16).

Revised: May 3, 2012 | Published: May 1, 2012

Citation

Kuvychko I.V., J.B. Whitaker, B.W. Larson, T. Folsom, N. Shustova, S. Avdoshenko, and Y. Chen, et al. 2012. Substituent Effects In a Series of 1,7-C60(RF)2 Compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): Electron Affinities, Reduction Potentials, and E(LUMO) Values Are Not Always Correlated. Chemical Science 3, no. 5:1399-1407. PNNL-SA-81333. doi:10.1039/C2SC01133F