標題: Quantum Design of pi-Electron Ring Currents in Polycyclic Aromatic Hydrocarbons: Parallel and Antiparallel Ring Currents in Naphthalene
作者: Mineo, Hirobumi
Fujimura, Yuichi
應用化學系分子科學碩博班
Institute of Molecular science
公開日期: 4-May-2017
摘要: Control of pi-electrons in polycyclic aromatic hydrocarbons (PAHs) is one of the fundamental issues in optoelectronics for ultrafast optical switching devices. We have proposed an effective scenario for design of the generation of coherent ring currents in naphthalene (D-2h), which is the smallest, unit of planar PAHs. It has been demonstrated by using quantum chemical calculations and quantum optimal control (QOC) simulations that two types of ring currents, parallel and antiparallel, can be generated by resonance excitations by two linearly polarized lasers. A parallel (antiparallel) ring current means that the currents of two benzene rings run in the same (opposite) directions. The two types of ring currents may be experimentally identified by magnetic force microscopy. The QOC simulations indicate that a parallel ring current can be generated by using continuous wave and Gaussian pulse lasers with their time delay without relying on a sophisticated experimental apparatus. The present results provide a guiding principle of coherent it-electronics in PAHs for next-generation organic optical switching devices.
URI: http://dx.doi.org/10.1021/acs.jpclett.7b00704
http://hdl.handle.net/11536/145478
ISSN: 1948-7185
DOI: 10.1021/acs.jpclett.7b00704
期刊: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume: 8
起始頁: 2019
結束頁: 2025
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