Nonlinear optical molecular switches for alkali ion identification

Research output: Contribution to journalArticle

47 Downloads (Pure)

Abstract

This work demonstrates by means of DFT and ab initio calculations that recognition of alkali cations can be achieved by probing the variations of the second-order nonlinear optical properties along the commutation process in spiropyran/merocyanine systems. Due to the ability of the merocyanine isomer to complex metal cations, the switching between the two forms is accompanied by large contrasts in the quadratic hyperpolarizability that strongly depend on the size of the cation in presence. Exploiting the nonlinear optical responses of molecular switches should therefore provide powerful analytical tools for detecting and identifying metal cations in solution.

Original languageEnglish
Pages (from-to)10574-10586
Number of pages13
JournalMolecules
Volume19
Issue number7
DOIs
Publication statusPublished - 1 Jan 2014

Fingerprint

Alkalies
Cations
alkalies
switches
Switches
Ions
cations
ions
Electric commutation
Coordination Complexes
commutation
Discrete Fourier transforms
Isomers
metals
isomers
Optical properties
Metals
optical properties
merocyanine

Keywords

  • Alkali ion sensing
  • Hyper-rayleigh scattering
  • Merocyanine/spiropyran
  • Molecular switches
  • Nonlinear optics
  • Quantum chemical calculations

Cite this

@article{4bd8030da4674f50983f9b2fc3b9877a,
title = "Nonlinear optical molecular switches for alkali ion identification",
abstract = "This work demonstrates by means of DFT and ab initio calculations that recognition of alkali cations can be achieved by probing the variations of the second-order nonlinear optical properties along the commutation process in spiropyran/merocyanine systems. Due to the ability of the merocyanine isomer to complex metal cations, the switching between the two forms is accompanied by large contrasts in the quadratic hyperpolarizability that strongly depend on the size of the cation in presence. Exploiting the nonlinear optical responses of molecular switches should therefore provide powerful analytical tools for detecting and identifying metal cations in solution.",
keywords = "Alkali ion sensing, Hyper-rayleigh scattering, Merocyanine/spiropyran, Molecular switches, Nonlinear optics, Quantum chemical calculations",
author = "Aur{\'e}lie Plaquet and Beno{\^I}t Champagne and Fr{\'e}d{\'e}ric Castet",
year = "2014",
month = "1",
day = "1",
doi = "10.3390/molecules190710574",
language = "English",
volume = "19",
pages = "10574--10586",
journal = "Molecules",
issn = "1431-5165",
publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",
number = "7",

}

Nonlinear optical molecular switches for alkali ion identification. / Plaquet, Aurélie; Champagne, BenoÎt; Castet, Frédéric.

In: Molecules, Vol. 19, No. 7, 01.01.2014, p. 10574-10586.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Nonlinear optical molecular switches for alkali ion identification

AU - Plaquet, Aurélie

AU - Champagne, BenoÎt

AU - Castet, Frédéric

PY - 2014/1/1

Y1 - 2014/1/1

N2 - This work demonstrates by means of DFT and ab initio calculations that recognition of alkali cations can be achieved by probing the variations of the second-order nonlinear optical properties along the commutation process in spiropyran/merocyanine systems. Due to the ability of the merocyanine isomer to complex metal cations, the switching between the two forms is accompanied by large contrasts in the quadratic hyperpolarizability that strongly depend on the size of the cation in presence. Exploiting the nonlinear optical responses of molecular switches should therefore provide powerful analytical tools for detecting and identifying metal cations in solution.

AB - This work demonstrates by means of DFT and ab initio calculations that recognition of alkali cations can be achieved by probing the variations of the second-order nonlinear optical properties along the commutation process in spiropyran/merocyanine systems. Due to the ability of the merocyanine isomer to complex metal cations, the switching between the two forms is accompanied by large contrasts in the quadratic hyperpolarizability that strongly depend on the size of the cation in presence. Exploiting the nonlinear optical responses of molecular switches should therefore provide powerful analytical tools for detecting and identifying metal cations in solution.

KW - Alkali ion sensing

KW - Hyper-rayleigh scattering

KW - Merocyanine/spiropyran

KW - Molecular switches

KW - Nonlinear optics

KW - Quantum chemical calculations

UR - http://www.scopus.com/inward/record.url?scp=84904796886&partnerID=8YFLogxK

U2 - 10.3390/molecules190710574

DO - 10.3390/molecules190710574

M3 - Article

AN - SCOPUS:84904796886

VL - 19

SP - 10574

EP - 10586

JO - Molecules

JF - Molecules

SN - 1431-5165

IS - 7

ER -