Di Paolo Matias, Bossi Mariano L, Baggio Ricardo, Suarez Sebastián A
Departamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pab. II (1428), Buenos Aires, Argentina.
Gerencia de Investigación y Aplicaciones, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Oct 1;72(Pt 5):684-692. doi: 10.1107/S2052520616009343. Epub 2016 Sep 16.
The synthesis, characterization, structural analysis and fluorescence properties of two rhodamine 6G derivatives are described, namely a propargylamine derivative, 3',6'-bis(ethylamino)-2',7'-dimethyl-2-(methylcyanide)spiro[isoindole-1,9'-xanthen]-3(2H)-one (I), and a γ-aminobutyric acid (GABA) derivative, 3',6'-bis(ethylamino)-2',7'-dimethyl-3-oxospiro[isoindole-1,9'-xanthen]-2(3H)-yl)butyricacid (II). Both structures are compared with four similar ones from the Cambridge Structural Database (CSD), and the interactions involved in the stabilization are analyzed using the atoms in molecules (AIM) theory. Finally, a single-crystal in-situ reaction study is presented, carried out by fluorescence methods, which enabled the `opening' of the spirolactam ring in the solid phase.
描述了两种罗丹明6G衍生物的合成、表征、结构分析和荧光性质，即一种炔丙胺衍生物，3'，6'-双（乙氨基）-2'，7'-二甲基-2-（甲基氰基）螺[异吲哚-1，9'-呫吨]-3（2H）-酮（I），以及一种γ-氨基丁酸（GABA）衍生物，3'，6'-双（乙氨基）-2'，7'-二甲基-3-氧代螺[异吲哚-1，9'-呫吨]-2（3H）-基）丁酸（II）。将这两种结构与剑桥结构数据库（CSD）中的四种类似结构进行了比较，并使用分子中的原子（AIM）理论分析了稳定化过程中涉及的相互作用。最后，介绍了一项通过荧光方法进行的单晶原位反应研究，该研究实现了螺内酰胺环在固相中“打开”。
