Fullerene Cyanation Does Not Always Increase Electron Affinity: Experimental and Theoretical Study

Journal Article · Thu Jan 01 04:00:00 EST 2015 · Physical Chemistry Chemical Physics. PCCP, 17(1):551-556

DOI:https://doi.org/10.1039/C4CP04287E· OSTI ID:1184907

Clikeman, Tyler T.; Deng, Shihu; Popov, Alexey A.; Wang, Xue B.; Strauss, Steven H.; Boltalina, Olga V.

The electron affinities of C70 derivatives with trifluoromethyl, methyl and cyano groups were studied experimentally and theoretically using low-temperature photoelectron spectroscopy (LT PES) and density functional theory (DFT). The electronic effects of these functional groups were determined and found to be highly dependent on the addition patterns. Substitution of CF3 for CN for the same addition pattern increases the experimental electron affinity by 70 meV per substitution. The synthesis of a new fullerene derivative, C70(CF3)10(CN)2, is reported for the first time

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1184907
• Report Number(s): PNNL-SA-105674; 48349; KC0301020
• Journal Information: Physical Chemistry Chemical Physics. PCCP, 17(1):551-556, Journal Name: Physical Chemistry Chemical Physics. PCCP, 17(1):551-556
• Country of Publication: United States
• Language: English

Related Subjects

Environmental Molecular Sciences Laboratory