- 丁基对三噻吩-四氮杂卟啉三联体中氧化还原单元之间电子传递的影响。
Effect of -butyl groups on electronic communication between redox units in tetrathiafulvalene-tetraazapyrene triads.
机构信息
Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, Bern CH-3012, Switzerland.
Institute of Applied Physics, University of Bern, Sidlerstrasse 5, Bern CH-3012, Switzerland.
出版信息
Chem Commun (Camb). 2021 Dec 3;57(96):12972-12975. doi: 10.1039/d1cc05671a.
Abstract
The electronic effect of -butyl groups on intramolecular through-bond interactions between redox units in tetrathiafulvalene-tetraazapyrene (TAP) triads is investigated. The insertion of -butyl groups raises the TAP-localised LUMO level by 0.21 eV, in fairly good agreement with 0.17 eV determined by DFT calculations.
摘要
研究了 - 丁基基团对四硫富瓦烯-四氮杂并苯（TAP）三联体中氧化还原单元之间分子内通过键相互作用的电子效应。- 丁基基团的插入使 TAP 局域 LUMO 能级升高了 0.21 eV，与 DFT 计算确定的 0.17 eV 相当吻合。
Zotero 插件