DFT/TD-DFT study to decipher the fluoride induced ring opening process of spiropyran
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DFT/TD-DFT methods were used to determine the fluoride anion sensing mechanism of 3',6'-Bis(tert-butyldimethylsilyloxy)spiro[benzo[f]chromene3,9'ffuorene], abbreviated as SP. The description of ring opening in the ground state of SP molecule and its isomerizat... ...
