Mullenix, John B. published the artcileElectronic decay through non-linear carbon chains, Synthetic Route of 2240-88-2, the publication is Journal of Physics B: Atomic, Molecular and Optical Physics (2020), 53(18), 184006, database is CAplus.
A multielectron wave-packet propagation method was used to calculate the electronic decay of oxygen and fluorine 2s vacancies for a group of trifluoroalkyl alcs., HOCnH(2n-1)F3, with n between 1 and 5. Whether ionizing O2s or F2s orbitals, it is shown that an electron can be emitted non-locally from the opposite terminus of the mol. The decay of the O(2s-1) state is found to be about 2-3 times faster than that of the F(2s-1), but in both cases the process takes only a few femtoseconds, demonstrating a highly efficient energy transfer through the carbon bridge. A comparison to the previously reported non-local decay in linear difluorocumulenone systems shows that the non-linearity of the trifluoroalkyl alcs. does not appear to dramatically influence the decay efficiency. These results shed light onto the nature of the scaling of electron correlation and open the door to the potential design of mols. that take advantage of this mechanism.
Journal of Physics B: Atomic, Molecular and Optical Physics published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C3H5F3O, Synthetic Route of 2240-88-2.
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