@Article{JAMS-8-63,
author = {Ding , YongLi , RuiGao , Yue and Shan , Jing},
title = {Optical and Electronic Properties of Organoboron Compounds in Solvent},
journal = {Journal of Atomic and Molecular Sciences},
year = {2017},
volume = {8},
number = {2},
pages = {63--69},
abstract = {<p style="text-align: justify;">Organoboron compounds 1-4 with an aryl ring directly bound to a (FMes)<sub>2</sub>B group through B-C bonds in vacuum, Hexane, 
Toluene, THF, CH<sub>3</sub>CN were theoretically studied using DFT with B3LYP functional and 6-31G (d) basis set, and TD-DFT 
with CAM-B3LYP functional and 6-31G (d) basis set. The absorption and fluorescence spectra of compounds 1-4 are 
determined in the same and different solvents. It is found that the electronic transition is the most efficient 
when compounds 1-4 are in CH<sub>3</sub>CN, the most polar solvent. The spectral contrast of compounds 3 and 4 is studied under
 different conditions. The charge difference density (CDD) is determined using the data from the intramolecular 
charge transfer of compounds 1-4 using 3D cube with large oscillator strength.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.071917.091517a},
url = {http://global-sci.org/intro/article_detail/jams/10572.html}
}