Crystal Growth and Design p. 3913 - 3922 (2019)
Update date:2022-08-05
Topics:
Cárdenas, Juan C.
Aguirre-Diáz, Lina M.
Galindo, Johan F.
Alí-Torres, Jorge
Ochoa-Puentes, Cristian
Echeverri, Marcelo
Gómez-Lor, Berta
Monge, M. ángeles
Gutiérrez-Puebla, Enrique
Sierra, Cesar A.
In this work we present a joint experimental and theoretical study of the light emitting properties of (E,E)-2,5-dimethoxy-1,4-bis[2-(4-carboxylatestyryl)]benzene, a phenylenevinylene (PV, from now on) derivative in the solid state. Careful crystal growth under different conditions of this PV luminophore yields three different crystals with dissimilar color emissions with maxima ranging between 504 and 565 nm. Single crystal structure elucidations indicate that they correspond to a DMF solvate, denoted 2·DMF (yellow) and two conformational polymorphs named 2α (yellow) and 2β (orange). Analysis of the close contacts and the framework topologies help us to rationalize the different colors observed, not only on the basis of different intramolecular conformations but also of the different intermolecular interactions observed. Particularly, the presence of different C-H···πand ?···πinteractions in 2α and in 2β polymorphs, respectively, give rise to different supramolecular frameworks with hex and bcu topologies. Theoretical studies reinforce the hypothesis that cooperative ?···πinteractions in the crystal lattice are responsible for the red-shifted color observed in the polymorph 2β. In fact, in contrast to what is observed with the polymorph 2α, as we incorporate more monomers in the calculations of the optical properties of polymorph 2β, the estimated energy for the vertical excitation from the ground state to the first excited state moves to lower values.
View MoreJiaozuo Zhongwei Special Products Pharmaceutical Co.,Ltd.
website:http://www.zw-pvp.com
Contact:15302105619
Address:Jiaozuo,Henan,China (Mainland)
Contact:0091-265-2313036
Address:311, ATLANTIS HEIGHTS SARABHAI MAIN ROAD,VADIWADI ,VADODARA
website:http://www.josunpharma.com
Contact:+86-311-80715268 80766839
Address:No.39, Zhaiying Street, Shijaizhuang,Hebei,China
Weifang Yukai Chemical Co.,Ltd.
website:http://www.yukaichem.com/en.html
Contact:+86-536-8865336
Address:binhai economic development zone,262737 shangdong,china
HaiNan Periwinkle Pharmaceutical Co.,Ltd.
website:http://www.cchpharm.com/en/index.html
Contact:020-82208978
Address:Gongye road,Wuzhishan city,HaiNan province
Doi:10.1021/ol100322t
(2010)Doi:10.1016/j.dyepig.2009.09.008
(2010)Doi:10.1016/j.ejmech.2009.12.026
(2010)Doi:10.1016/j.ejmech.2009.10.010
(2010)Doi:10.1021/jacs.0c11750
(2021)Doi:10.1016/j.bmcl.2010.01.092
(2010)