Kinetic Investigation of Thermochromic Transition, Proton Transfer Reaction, and Crystal-Crystal Phase Transformation in 1,3-bis(hydroxyethylamino)-4,6-dinitrobenzene

Abstract

This study investigated the main origin of the thennochromism of a novel compound, 1,3-bis(hydroxyethylamino)-4,6-dinitrobenzene (BDB). In order to unravel the relative dependence of reversible color change between yellow and orange on proton transfer reaction and crystal-crystal phase transformation, kinetic experiments were executed. The recovery rates of thermochromic transition, proton transfer reaction, and crystal-crystal phase transformation were calculated from the data measured through UV-vis spectrophotometry, IR spectrometry, and X-ray diffractometry with a lapse of time at fixed-temperatures (30, 40, and 50 degrees C) after cooling from heated temperature (150 degrees C). The kinetic experiments revealed that the recovery takes place more quickly at lower temperature. At each fixed-temperature, the recovery rate is in the order of the crystal-crystal phase transformation > the proton transfer reaction > the thermochromic transition. It is concluded that the proton transfer reaction is the main origin for thermochromism of BDB in solid state and the crystal-crystal phase transformation is a collateral one.