Molecule orientation in self-assembled monolayers determined by infrared-visible sum-frequency generation spectroscopy

A. A. Mani; Z. D. Schultz; B. Champagne; C. Humbert; L. Dreesen; A. A. Gewirth; J. O. White; P. A. Thiry; A. Peremans; Y. Caudano

doi:10.1016/j.apsusc.2004.07.025

Molecule orientation in self-assembled monolayers determined by infrared-visible sum-frequency generation spectroscopy

A. A. Mani, Z. D. Schultz, B. Champagne, C. Humbert, L. Dreesen, A. A. Gewirth, J. O. White, P. A. Thiry, A. Peremans, Y. Caudano

Unit of theoretical and structural physico-chemistry

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

Abstract

The molecular orientation in self-assembled monolayers of thiophenol (TP) on Ag(1 1 1) and of para-nitroanilinododecane-thiol (NAT) on Au was investigated by infrared-visible sum-frequency generation between 500 and 1500 cm ^-1. Ab initio calculations were performed to determine the interface nonlinear response. The combined experimental and theoretical results reveal that the S-C bond of TP is tilted 37° from the Ag(1 1 1) surface normal, with the aromatic ring plane perpendicular to the surface. On Au, the tilt angle of the NAT molecule stabilizes below 60° at the end of film growth.

Original language	English
Pages (from-to)	444-449
Number of pages	6
Journal	Applied Surface Science
Volume	237
Issue number	1-4
DOIs	https://doi.org/10.1016/j.apsusc.2004.07.025
Publication status	Published - 15 Oct 2004

Keywords

Adsorbate orientation
Para-nitroanilino-dodecanethiol
Self-assembled monolayer
Sum-frequency generation
Thiophenol
Vibration

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10.1016/j.apsusc.2004.07.025

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title = "Molecule orientation in self-assembled monolayers determined by infrared-visible sum-frequency generation spectroscopy",

abstract = "The molecular orientation in self-assembled monolayers of thiophenol (TP) on Ag(1 1 1) and of para-nitroanilinododecane-thiol (NAT) on Au was investigated by infrared-visible sum-frequency generation between 500 and 1500 cm -1. Ab initio calculations were performed to determine the interface nonlinear response. The combined experimental and theoretical results reveal that the S-C bond of TP is tilted 37° from the Ag(1 1 1) surface normal, with the aromatic ring plane perpendicular to the surface. On Au, the tilt angle of the NAT molecule stabilizes below 60° at the end of film growth.",

keywords = "Adsorbate orientation, Para-nitroanilino-dodecanethiol, Self-assembled monolayer, Sum-frequency generation, Thiophenol, Vibration",

author = "Mani, {A. A.} and Schultz, {Z. D.} and B. Champagne and C. Humbert and L. Dreesen and Gewirth, {A. A.} and White, {J. O.} and Thiry, {P. A.} and A. Peremans and Y. Caudano",

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doi = "10.1016/j.apsusc.2004.07.025",

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journal = "Applied Surface Science",

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T1 - Molecule orientation in self-assembled monolayers determined by infrared-visible sum-frequency generation spectroscopy

AU - Mani, A. A.

AU - Schultz, Z. D.

AU - Champagne, B.

AU - Humbert, C.

AU - Dreesen, L.

AU - Gewirth, A. A.

AU - White, J. O.

AU - Thiry, P. A.

AU - Peremans, A.

AU - Caudano, Y.

PY - 2004/10/15

Y1 - 2004/10/15

N2 - The molecular orientation in self-assembled monolayers of thiophenol (TP) on Ag(1 1 1) and of para-nitroanilinododecane-thiol (NAT) on Au was investigated by infrared-visible sum-frequency generation between 500 and 1500 cm -1. Ab initio calculations were performed to determine the interface nonlinear response. The combined experimental and theoretical results reveal that the S-C bond of TP is tilted 37° from the Ag(1 1 1) surface normal, with the aromatic ring plane perpendicular to the surface. On Au, the tilt angle of the NAT molecule stabilizes below 60° at the end of film growth.

AB - The molecular orientation in self-assembled monolayers of thiophenol (TP) on Ag(1 1 1) and of para-nitroanilinododecane-thiol (NAT) on Au was investigated by infrared-visible sum-frequency generation between 500 and 1500 cm -1. Ab initio calculations were performed to determine the interface nonlinear response. The combined experimental and theoretical results reveal that the S-C bond of TP is tilted 37° from the Ag(1 1 1) surface normal, with the aromatic ring plane perpendicular to the surface. On Au, the tilt angle of the NAT molecule stabilizes below 60° at the end of film growth.

KW - Adsorbate orientation

KW - Para-nitroanilino-dodecanethiol

KW - Self-assembled monolayer

KW - Sum-frequency generation

KW - Thiophenol

KW - Vibration

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DO - 10.1016/j.apsusc.2004.07.025

M3 - Article

AN - SCOPUS:4644294333

SN - 0169-4332

VL - 237

SP - 444

EP - 449

JO - Applied Surface Science

JF - Applied Surface Science

IS - 1-4

ER -

Molecule orientation in self-assembled monolayers determined by infrared-visible sum-frequency generation spectroscopy

Abstract

Keywords

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