Experimentally Validated Model for the Prediction of the HOMO and LUMO Energy Levels of Boronsubphthalocyanines

Autor:	Zheng-Hong Lu, Jason C. Stanwick, Andrew S. Paton, Michael G. Helander, Graham E. Morse, Timothy P. Bender, Jennifer M. Sauks
Rok vydání:	2011
Předmět:	General Energy Computational chemistry Chemistry Substitution (logic) Sensitivity (control systems) Physical and Theoretical Chemistry HOMO/LUMO Energy (signal processing) Surfaces Coatings and Films Electronic Optical and Magnetic Materials
Zdroj:	The Journal of Physical Chemistry C. 115:11709-11718
ISSN:	1932-7455 1932-7447
DOI:	10.1021/jp1092306
Popis:	We report the rapid screening of phenoxyboronsubphthalocyanine (PhO-BsubPc) derivatives for sensitivity of their HOMO and LUMO energy levels (EH and EL) to substitution with electron-donating and e...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::fc4c9e20e91034fef64b612c193b0329 https://doi.org/10.1021/jp1092306 Zobrazit plný text záznamu