New chromophores based on 2-(4-vinylchromen-2-ylidene)malononitrile and 2-(2-vinylchromen-4-ylidene)malononitrile

作者: K. S. Levchenko , K. A. Chudov , D. Yu. Demin , G. E. Adamov , E. V. Zinoviev

DOI: 10.1007/S11172-019-2641-X

关键词:

摘要: New derivatives of 2-(4-vinylchromen-2-ylidene)malononitrile and 2-(2-vinylchromen-4-ylidene)malononitrile were synthesized using the Knoevenagel reaction 2-(4-methyl-chromen-2-ylidene)malononitrile 2-(2-methylchromen-4-ylidene)malononitrile, respectively, with participation [1-(2-n-butoxyethyl)-2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)]-carbaldehyde. First hyperpolarizability (β) was calculated for obtained compounds M05-2X functional 6-31+G (d) basis. Optical properties solvatochromism in solvents different polarity (toluene, 1,4-dioxane, chlorobenzene, dichloromethane, DMF, ethanol) also investigated.

参考文章(22)
Xuan Zhang, Lun Zhang, Yaqian Liu, Bin Bao, Yi Zang, Jia Li, Wei Lu, A near-infrared fluorescent probe for rapid detection of hydrogen peroxide in living cells Tetrahedron. ,vol. 71, pp. 4842- 4845 ,(2015) , 10.1016/J.TET.2015.05.025
Kyrill Yu Suponitsky, Artëm E. Masunov, Supramolecular step in design of nonlinear optical materials: Effect of π…π stacking aggregation on hyperpolarizability Journal of Chemical Physics. ,vol. 139, pp. 094310- ,(2013) , 10.1063/1.4819265
Bertrand Illien, Philippe Jehan, Alain Botrel, Andre´ Darchen, Isabelle Ledoux, Joseph Zyss, Pierre Le Mague´res, Lahcène Ouahab, Synthesis and theoretical and experimental nonlinear optical studies of push–pull benzopyranic derivatives containing an oxo, thioxo or dicyanoethylene group as acceptor site New Journal of Chemistry. ,vol. 22, pp. 633- 641 ,(1998) , 10.1039/A709251B
Kyrill Yu. Suponitsky, Yi Liao, Artëm E. Masunov, Electronic Hyperpolarizabilities for Donor−Acceptor Molecules with Long Conjugated Bridges: Calculations versus Experiment Journal of Physical Chemistry A. ,vol. 113, pp. 10994- 11001 ,(2009) , 10.1021/JP902293Q
Jui-Hsien Lin, Arumugasamy Elangovan, Tong-Ing Ho, Structure−Property Relationships in Conjugated Donor−Acceptor Molecules Based on Cyanoanthracene: Computational and Experimental Studies Journal of Organic Chemistry. ,vol. 70, pp. 7397- 7407 ,(2005) , 10.1021/JO051183G
Chengcheng Peng, Jieyun Wu, Jialei Liu, Ling Qiu, Xinhou Liu, Shuhui Bo, Zhen Zhen, Synthesis and optical properties of new fluorinated second-order nonlinear optical copolymers: an attempt toward the balance between solubility and long-term alignment stability Polymer Chemistry. ,vol. 4, pp. 2703- 2708 ,(2013) , 10.1039/C3PY20935K
Kyrill Yu. Suponitsky, Sergio Tafur, Artëm E. Masunov, Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability. Journal of Chemical Physics. ,vol. 129, pp. 044109- 044109 ,(2008) , 10.1063/1.2936121
M. Ravi, A. Samanta, T. P. Radhakrishnan, EXCITED STATE DIPOLE MOMENTS FROM AN EFFICIENT ANALYSIS OF SOLVATOCHROMIC STOKES SHIFT DATA The Journal of Physical Chemistry. ,vol. 98, pp. 9133- 9136 ,(1994) , 10.1021/J100088A007