Complementary Surface Second Harmonic Generation and Molecular Dynamics Investigation of the Orientation of Organic Dyes at a Liquid/Liquid Interface

Svechkarev, Denis; Kolodezny, Dmitry; Mosquera Vazquez, Sandra; Vauthey, Eric

doi:10.1021/la503121g

Scientific article

English

Complementary Surface Second Harmonic Generation and Molecular Dynamics Investigation of the Orientation of Organic Dyes at a Liquid/Liquid Interface

Contributors

Svechkarev, Denis; Kolodezny, Dmitry; Mosquera Vazquez, Sandra; Vauthey, Eric

Published in

Langmuir, vol. 30, no. 46, p. 13869-13876

Publication date

2014

Abstract

The second-order nonlinear response of two dyes adsorbed at the dodecane/water interface was investigated by surface second harmonic generation (SSHG). These dyes consist of the same chromophoric unit, 2-pyridinyl-5-phenyloxazole, with an alkyl chain located at the two opposite ends. The analysis of the polarization dependence of the SSHG intensity as usually performed points to similar tilt angles of the two dyes with respect to the interface but does not give information on the absolute direction. Molecular dynamics (MD) simulations reveal that both dyes lie almost flat at the interface but have opposite orientations. A refined SSHG data analysis with the width of the orientational distribution yields tilt angles that are in very satisfactory agreement with the MD simulations.

UNIGE affiliation entities

Faculté des sciences / Section de chimie et biochimie / Département de chimie physique

UNIGE research groups

Groupe Vauthey

Citation (ISO format)

SVECHKAREV, Denis et al. Complementary Surface Second Harmonic Generation and Molecular Dynamics Investigation of the Orientation of Organic Dyes at a Liquid/Liquid Interface. In: Langmuir, 2014, vol. 30, n° 46, p. 13869–13876. doi: 10.1021/la503121g

Article (Published version)

Identifiers

PID : unige:43539
DOI : 10.1021/la503121g

Journal ISSN

0743-7463

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Creation

12/12/2014 12:03:00

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12/12/2014 12:03:00

Update

14/03/2023 22:28:02

Status update

14/03/2023 22:28:01

Last indexation

30/10/2024 21:30:57

Complementary Surface Second Harmonic Generation and Molecular Dynamics Investigation of the Orientation of Organic Dyes at a Liquid/Liquid Interface

Contributors

Published in

Publication date

Abstract

UNIGE affiliation entities

UNIGE research groups

Citation (ISO format)

Main files (1)

Identifiers

Journal ISSN

Technical informations

Creation

First validation

Update

Status update

Last indexation