Simulating strong field control of axial chirality using optimal control theory

Shane M. Parker, Mark A Ratner, Tamar Seideman

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

We propose a strong-field based method to control the chirality of molecules that exhibit torsion, illustrating the possibility of converting a racemate into a pure enantiomer at elevated temperatures. Optimal control theory is applied to design a laser pulse that will maximize the enantiomeric ratio achieved, considering both the case of a fixed, linear polarization and the case of a tunable polarization. Our simulations show the possibility of converting 99% and 99.5% of the population into a desired enantiomer for the fixed and tunable polarization solutions, respectively, deriving interesting insights regarding the conversion dynamics from the optimized pulse shape. Finally, we discuss several potential applications of the proposed approach, including a study of time-resolved racemization and a chiral switch.

Original languageEnglish
Pages (from-to)1941-1952
Number of pages12
JournalMolecular Physics
Volume110
Issue number15-16
DOIs
Publication statusPublished - Aug 10 2012

Fingerprint

control theory
Chirality
enantiomers
optimal control
Control theory
chirality
Lasers
Enantiomers
Polarization
Temperature
polarization
pulses
linear polarization
Population
torsion
switches
Torsional stress
Laser pulses
Switches
lasers

Keywords

  • axial chirality
  • molecular torsion
  • optimal control
  • strong field control

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Biophysics
  • Molecular Biology

Cite this

Simulating strong field control of axial chirality using optimal control theory. / Parker, Shane M.; Ratner, Mark A; Seideman, Tamar.

In: Molecular Physics, Vol. 110, No. 15-16, 10.08.2012, p. 1941-1952.

Research output: Contribution to journalArticle

Parker, Shane M. ; Ratner, Mark A ; Seideman, Tamar. / Simulating strong field control of axial chirality using optimal control theory. In: Molecular Physics. 2012 ; Vol. 110, No. 15-16. pp. 1941-1952.
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