Computational Design of Molecular Motors and Excited-State Studies of Organic Chromophores
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Unravelling the electronic structure and dynamics of an isolated molecular rotary motor in the gas-phase† †Electronic supplementary information (ESI) available: Details of molecular motor synthesis and NMR data; geometrical data of optimised structures used in computational chemistry calculations; natural orbitals of the active space used in state-averaged CASSCF calculations. See DOI: 10.1039/c7sc01997a Click here for additional data file.
Light-driven molecular motors derived from chiral overcrowded alkenes are an important class of compounds in which sequential photochemical and thermal rearrangements result in unidirectional rotation of one part of the molecule with respect to another. Here, we employ anion photoelectron spectroscopy to probe the electronic structure and dynamics of a unidirectional molecular rotary motor anio...
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تاریخ انتشار 2016