Bogdanov Georgii, Tillotson John P, Khrustalev Victor N, Rigin Sergei, Timofeeva Tatiana V
Department of Chemistry, New Mexico Highlands University, Las Vegas, New Mexico 87701, USA.
School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.
Acta Crystallogr C Struct Chem. 2019 Aug 1;75(Pt 8):1175-1181. doi: 10.1107/S2053229619010398. Epub 2019 Jul 29.
The synthesis, crystal structure studies and solvatochromic behavior of 2-{(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dien-1-ylidene}malononitrile, CHN (DCV[3]), and 2-{(2E,4E,6E)-7-[4-(dimethylamino)phenyl]hepta-2,4,6-trien-1-ylidene}malononitrile, CHN (DCV[4]), are reported and discussed in comparison with their homologs having a shorter length of the π-conjugated bridge. The compounds of this series have potential use as nonlinear materials with second-order effects due to their donor-acceptor structures. However, DCV[3] and DCV[4] crystallized in the centrosymmetric space group P2/c which excludes their application as nonlinear optical materials in the crystalline state. They both crystallize with two independent molecules having the same molecular conformation in the asymmetric unit. The series DCV[1]-DCV[4] demonstrated reversed solvatochromic behavior in toluene, chloroform, and acetonitrile.
报道并讨论了2-{（2E，4E）-5-[4-（二甲氨基）苯基]戊-2，4-二烯-1-亚基}丙二腈（CHN，DCV[3]）和2-{（2E，4E，6E）-7-[4-（二甲氨基）苯基]庚-2，4，6-三烯-1-亚基}丙二腈（CHN，DCV[4]）的合成、晶体结构研究及溶剂致变色行为，并与具有较短π共轭桥长度的同系物进行了比较。由于其供体-受体结构，该系列化合物具有作为具有二阶效应的非线性材料的潜在用途。然而，DCV[3]和DCV[4]在中心对称空间群P2/c中结晶，这排除了它们在结晶态作为非线性光学材料的应用。它们在不对称单元中均以两个具有相同分子构象的独立分子结晶。DCV[1]-DCV[4]系列在甲苯、氯仿和乙腈中表现出相反的溶剂致变色行为。
