Theoretical Study of Coherent π-Electron
Rotations in a Nonplanar Chiral Aromatic
Molecule Induced by Ultrafast Linearly
Polarized UV Pulses
H. Mineo and Y. Fujimura
Abstract We present the results of a theoretical study of π-electron dynamics in a
nonplanar chiral aromatic molecule (P)-2,2′-biphenol. Coherent ring currents,
which are one of the main observables of coherent π-electron dynamics, are generated by applying the linearly polarized UV pulse laser, where a pair of coherent
quasi-degenerated excited states is created. In this paper we review the formulations
of the time-dependent coherent ring currents and angular momentum which were
obtained using the density matrix theory based on the LCAO MO approximation.
The results of the numerical simulation of coherent π-electron ring currents and
angular momentum in (P)-2,2′-biphenol are shown. We also propose an ultrafast
quantum switching method of π-electron rotations and perform the sequential
switching among four rotational patterns which are performed by the overlapped
pump-dump laser pulses with properly selected laser polarizations, time delay and
relative phases. Finally we refer to an outline for the extension of our method to
N aromatic rings chain (N ≥ 3).
Keywords Coherent π-electron ring current Á Nonplanar chiral aromatic molecule Á Two-dimensional ultrafast switching
H. Mineo (&)
Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan
e-mail: mineo@gate.sinica.edu.tw
Y. Fujimura
Department of Applied Chemistry, Institute of Molecular Science and Center for
Interdisciplinary Molecular Science, National Chiao-Tung University, Hsin-Chu 300, Taiwan
Y. Fujimura
Department of Chemistry, Graduate School of Science, Tohoku University,
Sendai 980-8578, Japan
© Springer International Publishing Switzerland 2015
M.A.C. Nascimento et al. (eds.), Frontiers in Quantum Methods and Applications
in Chemistry and Physics, Progress in Theoretical Chemistry and Physics 29,
DOI 10.1007/978-3-319-14397-2_10
159
Rotations in a Nonplanar Chiral Aromatic
Molecule Induced by Ultrafast Linearly
Polarized UV Pulses
H. Mineo and Y. Fujimura
Abstract We present the results of a theoretical study of π-electron dynamics in a
nonplanar chiral aromatic molecule (P)-2,2′-biphenol. Coherent ring currents,
which are one of the main observables of coherent π-electron dynamics, are generated by applying the linearly polarized UV pulse laser, where a pair of coherent
quasi-degenerated excited states is created. In this paper we review the formulations
of the time-dependent coherent ring currents and angular momentum which were
obtained using the density matrix theory based on the LCAO MO approximation.
The results of the numerical simulation of coherent π-electron ring currents and
angular momentum in (P)-2,2′-biphenol are shown. We also propose an ultrafast
quantum switching method of π-electron rotations and perform the sequential
switching among four rotational patterns which are performed by the overlapped
pump-dump laser pulses with properly selected laser polarizations, time delay and
relative phases. Finally we refer to an outline for the extension of our method to
N aromatic rings chain (N ≥ 3).
Keywords Coherent π-electron ring current Á Nonplanar chiral aromatic molecule Á Two-dimensional ultrafast switching
H. Mineo (&)
Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan
e-mail: mineo@gate.sinica.edu.tw
Y. Fujimura
Department of Applied Chemistry, Institute of Molecular Science and Center for
Interdisciplinary Molecular Science, National Chiao-Tung University, Hsin-Chu 300, Taiwan
Y. Fujimura
Department of Chemistry, Graduate School of Science, Tohoku University,
Sendai 980-8578, Japan
© Springer International Publishing Switzerland 2015
M.A.C. Nascimento et al. (eds.), Frontiers in Quantum Methods and Applications
in Chemistry and Physics, Progress in Theoretical Chemistry and Physics 29,
DOI 10.1007/978-3-319-14397-2_10
159