Formation of cyanuric acid from cyanate adsorbed at gold electrodes

William Cheuquepán; Antonio Rodes; José M. Orts; Juan M. Feliu

doi:10.1016/j.elecom.2016.11.005

Formation of cyanuric acid from cyanate adsorbed at gold electrodes

William Cheuquepán, Antonio Rodes, José M. Orts, Juan M. Feliu

University of Alicante

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

Abstract

We report the formation of cyanuric acid species at Au(111) electrodes in cyanate-containing solutions, due to the electroless trimerization of isocyanic acid. Similar experimental bands in the range between 1300 and 1900 cm^− 1 are observed in Surface Enhanced Infrared Reflection Spectroscopy experiments under Attenuated Total Reflection conditions (ATR-SEIRAS) with solutions containing either cyanate anions at high concentration or cyanuric acid. The experimental frequencies agree well with those obtained from Density Functional Theory (DFT) calculations for the adsorbed cyanurate anion, bonded to the metal in a tridentate configuration, with its molecular plane perpendicular to the metal surface.

Original language	English
Pages (from-to)	1-4
Number of pages	4
Journal	Electrochemistry Communications
Volume	74
DOIs	https://doi.org/10.1016/j.elecom.2016.11.005
Publication status	Published - 1 Jan 2017
Externally published	Yes

Keywords

ATR-SEIRAS
Au(111)
Cyanate
Cyanurate
Cyanuric acid
DFT

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10.1016/j.elecom.2016.11.005

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title = "Formation of cyanuric acid from cyanate adsorbed at gold electrodes",

abstract = "We report the formation of cyanuric acid species at Au(111) electrodes in cyanate-containing solutions, due to the electroless trimerization of isocyanic acid. Similar experimental bands in the range between 1300 and 1900 cm− 1 are observed in Surface Enhanced Infrared Reflection Spectroscopy experiments under Attenuated Total Reflection conditions (ATR-SEIRAS) with solutions containing either cyanate anions at high concentration or cyanuric acid. The experimental frequencies agree well with those obtained from Density Functional Theory (DFT) calculations for the adsorbed cyanurate anion, bonded to the metal in a tridentate configuration, with its molecular plane perpendicular to the metal surface.",

keywords = "ATR-SEIRAS, Au(111), Cyanate, Cyanurate, Cyanuric acid, DFT",

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T1 - Formation of cyanuric acid from cyanate adsorbed at gold electrodes

AU - Cheuquepán, William

AU - Rodes, Antonio

AU - Orts, José M.

AU - Feliu, Juan M.

PY - 2017/1/1

Y1 - 2017/1/1

N2 - We report the formation of cyanuric acid species at Au(111) electrodes in cyanate-containing solutions, due to the electroless trimerization of isocyanic acid. Similar experimental bands in the range between 1300 and 1900 cm− 1 are observed in Surface Enhanced Infrared Reflection Spectroscopy experiments under Attenuated Total Reflection conditions (ATR-SEIRAS) with solutions containing either cyanate anions at high concentration or cyanuric acid. The experimental frequencies agree well with those obtained from Density Functional Theory (DFT) calculations for the adsorbed cyanurate anion, bonded to the metal in a tridentate configuration, with its molecular plane perpendicular to the metal surface.

AB - We report the formation of cyanuric acid species at Au(111) electrodes in cyanate-containing solutions, due to the electroless trimerization of isocyanic acid. Similar experimental bands in the range between 1300 and 1900 cm− 1 are observed in Surface Enhanced Infrared Reflection Spectroscopy experiments under Attenuated Total Reflection conditions (ATR-SEIRAS) with solutions containing either cyanate anions at high concentration or cyanuric acid. The experimental frequencies agree well with those obtained from Density Functional Theory (DFT) calculations for the adsorbed cyanurate anion, bonded to the metal in a tridentate configuration, with its molecular plane perpendicular to the metal surface.

KW - ATR-SEIRAS

KW - Au(111)

KW - Cyanate

KW - Cyanurate

KW - Cyanuric acid

KW - DFT

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DO - 10.1016/j.elecom.2016.11.005

M3 - Article

AN - SCOPUS:84995602182

SN - 1388-2481

VL - 74

SP - 1

EP - 4

JO - Electrochemistry Communications

JF - Electrochemistry Communications

ER -

Formation of cyanuric acid from cyanate adsorbed at gold electrodes

Abstract

Keywords

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