Visible and Reversible Restrict of Molecular Configuration by Copper Ion and Pyrophosphate

Molecular configuration strongly impacts on its functions; however, due to complicated and diverse configuration as well as easy and rapid conversion among various configurations, research of molecular configuration is extremely difficult. If the free rotation of a molecule could be "slowed down" or even "frozen" by an external stimulus, such as ultralow temperature, then one configuration of the molecule could be captured and characterized relatively easily. Here, we show that the rotation of a hemicyanine-labeled 2-(2'-hydroxyphenyl)-4-methyloxazole (H-HPMO) molecule could be specifically and reversibly restricted by sequential additions of copper ion (Cu²⁺) and pyrophosphate (P₂O₇^4-), reflecting as remarkable fluorescence quenching and recovery, which could be directly observed by naked eyes. Binding affinity tests and cryogenic ¹H NMR indicate that Cu²⁺ forms intensive coordinate bonds with phenolic hydroxyl, oxazole, and methoxyl groups of HPMO, which strongly restricts the free rotations of these groups and blocks charge transfer. This study provides a precise, rapid, visible, reversible, and low-cost method to monitor the molecular configuration, indicating the broad application prospects of near-infrared fluorescent sensors in configuration analysis, biosensing, and drug-substrate complexation.