Regulating and controlling the stepwise ESDPT channel of BP(OH)<sub>2</sub>DCEt<sub>2</sub> using the strategy of solvent polarity and external electric field
Hongbin Zhuang, Wei Shi, Guijie Zhao, Yongqing Li
Abstract
molecule due to the symmetry of the potential energy surface along the diagonal. On this basis, we proposed a method to control and regulate the stepwise ESDPT path using an external electric field. The results show that the increase of external electric field intensity is favorable to stepwise ESDPT. It is interesting to note that applying an external electric field in a specific direction will effectively distinguish stepwise ESDPT reaction paths. Therefore, this work not only helps to understand the mechanism of ESDPT, but also contributes to regulation and design of new luminescent materials with excellent luminescent properties.
Topics & Concepts
Electric fieldPolarity (international relations)Excited stateLuminescenceDiagonalChemical physicsWork (physics)SolventField (mathematics)ChemistryMaterials scienceAtomic physicsPhysicsOptoelectronicsOrganic chemistryThermodynamicsMathematicsQuantum mechanicsGeometryPure mathematicsBiochemistryCellPhotochemistry and Electron Transfer StudiesSpectroscopy and Quantum Chemical StudiesFree Radicals and Antioxidants