Exploring the optoelectronic and charge transfer performance of diaza[5]helicenes at molecular and bulk level

作者: Ahmad Irfan , Mohammed Assiri , Abdullah G. Al-Sehemi

DOI: 10.1016/J.ORGEL.2018.03.022

关键词:

摘要: … To generate the nearest neighboring intermolecular hopping pathways, we used single crystal structures for the electronic coupling (V) calculations. The hole and electron V were …

参考文章(56)
A.I. Kitaigorodsky, V.G. Dashevsky, Conformational analysis of overcrowded aromatic molecules Tetrahedron. ,vol. 24, pp. 5917- 5928 ,(1968) , 10.1016/S0040-4020(01)90978-0
Choongik Kim, Tobin J. Marks, Antonio Facchetti, Michele Schiavo, Alberto Bossi, Stefano Maiorana, Emanuela Licandro, Francesco Todescato, Stefano Toffanin, Michele Muccini, Claudia Graiff, Antonio Tiripicchio, Synthesis, characterization, and transistor response of tetrathia-[7]-helicene precursors and derivatives Organic Electronics. ,vol. 10, pp. 1511- 1520 ,(2009) , 10.1016/J.ORGEL.2009.08.018
Yousuke Ooyama, Genta Ito, Kohei Kushimoto, Kenji Komaguchi, Ichiro Imae, Yutaka Harima, Synthesis and fluorescence and electrochemical properties of D–π-A structural isomers of benzofuro[2,3-c]oxazolo[4,5-a]carbazole-type and benzofuro[2,3-c]oxazolo[5,4-a]carbazole-type fluorescent dyes Organic & Biomolecular Chemistry. ,vol. 8, pp. 2756- 2770 ,(2010) , 10.1039/C003526B
Cristina Bazzini, Tullio Caronna, Francesca Fontana, Piero Macchi, Andrea Mele, Isabella Natali Sora, Walter Panzeri, Angelo Sironi, Synthesis, crystal structure and crystal packing of diaza[5]helicenes New Journal of Chemistry. ,vol. 32, pp. 1710- 1717 ,(2008) , 10.1039/B800050F
Burkhard Miehlich, Andreas Savin, Hermann Stoll, Heinzwerner Preuss, Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr Chemical Physics Letters. ,vol. 157, pp. 200- 206 ,(1989) , 10.1016/0009-2614(89)87234-3
Guillem Portella, Jordi Poater, Josep M. Bofill, Pere Alemany, Miquel Solà, Local aromaticity of [n]acenes, [n]phenacenes, and [n]helicenes (n = 1-9). Journal of Organic Chemistry. ,vol. 70, pp. 2509- 2521 ,(2005) , 10.1021/JO0480388
W. Kohn, A. D. Becke, R. G. Parr, Density Functional Theory of Electronic Structure The Journal of Physical Chemistry. ,vol. 100, pp. 12974- 12980 ,(1996) , 10.1021/JP960669L
D. A. PARTHENOPOULOS, P. M. RENTZEPIS, Three-Dimensional Optical Storage Memory Science. ,vol. 245, pp. 843- 845 ,(1989) , 10.1126/SCIENCE.245.4920.843
A. Hlel, A. Mabrouk, M. Chemek, I. Ben Khalifa, K. Alimi, A DFT study of charge-transfer and opto-electronic properties of some new materials involving carbazole units Computational Condensed Matter. ,vol. 3, pp. 30- 40 ,(2015) , 10.1016/J.COCOM.2015.02.001