The ability of bromine-containing anions of sulfophthalein dyes, such as bromophenol blue (BPB), bromocresol green (BCG), bromocresol purple (BCP), bromothymol blue (BTB), as well as non-substituted phenol red (PhR), to form heteroassociates in aqueous solution was investigated. Singly and doubly charged anions BPB, BCG, BCP, BTB, and PhR (HAn-, An2-) are capable of forming stable heteroassociates of composition Ct+•HAn- and (Ct+)2•An2- with cationic polymethine dyes (Ct+), such as pinacyanol and quinaldine red. The enthalpies of formation of the dye ions and heteroassociates were calculated by semiempirical methods, and the most probable structure of heteroassociates was determined.
研究了
溴酚蓝(BPB)、
溴甲酚绿(BCG)、
溴甲酚紫(
BCP)、
溴百里酚蓝(BTB)以及非取代
酚红(PhR)等
酞磺
染料的含
溴阴离子在
水溶液中形成异构体的能力。单电荷和双电荷阴离子 BPB、BCG、
BCP、BTB 和 PhR(HAn-、An2-)能够与阳离子聚
甲胺染料(Ct+)(如
蒎烷醇和
喹啉红)形成成分为 Ct+-HAn- 和 (Ct+)2-An2- 的稳定异构体。通过半经验方法计算了
染料离子和杂合体的形成焓,并确定了杂合体的最可能结构。