An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments

Silvia Carlotto; Raffaele Riccò; Camilla Ferrante; Michele Maggini; Antonino Polimeno; Caterina Benzi; Vincenzo Barone

doi:10.1016/j.cplett.2008.11.011

An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments

Silvia Carlotto, Raffaele Riccò, Camilla Ferrante, Michele Maggini, Antonino Polimeno^*, Caterina Benzi, Vincenzo Barone

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

We analyze the behavior in several solvents of a perspective metal sensor, namely benzonitrile (DMABN-Crown5), a derivative of 4-(N,N-dimethylamino) benzonitrile (DMABN) that exhibits a dual fluorescence due to a twisted intra-molecular charge transfer process. To this end, we extend a stochastic modeling previously employed for DMABN, in which internal degrees of freedom are coupled with an effective solvent relaxation variable. Evaluation of potential energy surfaces using advanced QM approach and estimates of dissipative parameters based on hydrodynamic arguments are discussed. Emission fluorescence is calculated by solving a diffusion/sink/source equation for the stationary population of excited state, and compared to experimentally measured emission fluorescence of DMABN-Crown5.

Original language	English
Pages (from-to)	204-209
Number of pages	6
Journal	Chemical Physics Letters
Volume	467
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2008.11.011
Publication status	Published - 15 Dec 2008
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Physics and Astronomy(all)

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10.1016/j.cplett.2008.11.011

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title = "An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments",

abstract = "We analyze the behavior in several solvents of a perspective metal sensor, namely benzonitrile (DMABN-Crown5), a derivative of 4-(N,N-dimethylamino) benzonitrile (DMABN) that exhibits a dual fluorescence due to a twisted intra-molecular charge transfer process. To this end, we extend a stochastic modeling previously employed for DMABN, in which internal degrees of freedom are coupled with an effective solvent relaxation variable. Evaluation of potential energy surfaces using advanced QM approach and estimates of dissipative parameters based on hydrodynamic arguments are discussed. Emission fluorescence is calculated by solving a diffusion/sink/source equation for the stationary population of excited state, and compared to experimentally measured emission fluorescence of DMABN-Crown5.",

author = "Silvia Carlotto and Raffaele Ricc{\`o} and Camilla Ferrante and Michele Maggini and Antonino Polimeno and Caterina Benzi and Vincenzo Barone",

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doi = "10.1016/j.cplett.2008.11.011",

language = "English",

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T1 - An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments

AU - Carlotto, Silvia

AU - Riccò, Raffaele

AU - Ferrante, Camilla

AU - Maggini, Michele

AU - Polimeno, Antonino

AU - Benzi, Caterina

AU - Barone, Vincenzo

PY - 2008/12/15

Y1 - 2008/12/15

N2 - We analyze the behavior in several solvents of a perspective metal sensor, namely benzonitrile (DMABN-Crown5), a derivative of 4-(N,N-dimethylamino) benzonitrile (DMABN) that exhibits a dual fluorescence due to a twisted intra-molecular charge transfer process. To this end, we extend a stochastic modeling previously employed for DMABN, in which internal degrees of freedom are coupled with an effective solvent relaxation variable. Evaluation of potential energy surfaces using advanced QM approach and estimates of dissipative parameters based on hydrodynamic arguments are discussed. Emission fluorescence is calculated by solving a diffusion/sink/source equation for the stationary population of excited state, and compared to experimentally measured emission fluorescence of DMABN-Crown5.

AB - We analyze the behavior in several solvents of a perspective metal sensor, namely benzonitrile (DMABN-Crown5), a derivative of 4-(N,N-dimethylamino) benzonitrile (DMABN) that exhibits a dual fluorescence due to a twisted intra-molecular charge transfer process. To this end, we extend a stochastic modeling previously employed for DMABN, in which internal degrees of freedom are coupled with an effective solvent relaxation variable. Evaluation of potential energy surfaces using advanced QM approach and estimates of dissipative parameters based on hydrodynamic arguments are discussed. Emission fluorescence is calculated by solving a diffusion/sink/source equation for the stationary population of excited state, and compared to experimentally measured emission fluorescence of DMABN-Crown5.

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DO - 10.1016/j.cplett.2008.11.011

M3 - Article

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VL - 467

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments

Abstract

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