Detection of multiple analytes (CN- and F-) based on a simple pyrazine-derived chemosensor in aqueous solution: Experimental and theoretical approaches

Jae Jun Lee; Gyeong Jin Park; Ye Won Choi; Ga Rim You; Yong Sung Kim; Sun Young Lee; Cheal Kim

doi:10.1016/j.snb.2014.10.081

Detection of multiple analytes (CN^- and F^-) based on a simple pyrazine-derived chemosensor in aqueous solution: Experimental and theoretical approaches

Jae Jun Lee, Gyeong Jin Park, Ye Won Choi, Ga Rim You, Yong Sung Kim, Sun Young Lee, Cheal Kim

Dept. of Fine Chemistry

Seoul National University of Science and Technology (SNUST)

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

53 Scopus citations

Abstract

A new colorimetric receptor 1 for the detection of CN^- and F^- has been simply developed. Receptor 1 showed selectively colorimetric responses to CN^- in a near-perfect aqueous solution and F^- in 10% aqueous solution, respectively. An obvious color change of 1 from yellow to colorless was observed for CN^- through a nucleophilic addition mechanism, while F^- was detected through deprotonating mechanism with a distinct color change from yellow to orange. The binding modes of receptor 1 with two analytes (CN^-and F^-) were proposed to be 1:1, based on Job plot, ¹H NMR titration, and ESI-mass spectrometry analysis. Moreover, the sensing mechanisms for F^- and CN^- were theoretically supported by DFT and TD-DFT calculation.

Original language	English
Pages (from-to)	123-132
Number of pages	10
Journal	Sensors and Actuators, B: Chemical
Volume	207
Issue number	Part A
DOIs	https://doi.org/10.1016/j.snb.2014.10.081
State	Published - Feb 2015

Keywords

Colorimetric
Cyanide
DFT calculations
Fluoride
Multiple analytes

Access to Document

10.1016/j.snb.2014.10.081

Cite this

@article{c8dee3c0b3cc491aa198b6d2624b256f,

title = "Detection of multiple analytes (CN- and F-) based on a simple pyrazine-derived chemosensor in aqueous solution: Experimental and theoretical approaches",

abstract = "A new colorimetric receptor 1 for the detection of CN- and F- has been simply developed. Receptor 1 showed selectively colorimetric responses to CN- in a near-perfect aqueous solution and F- in 10\% aqueous solution, respectively. An obvious color change of 1 from yellow to colorless was observed for CN- through a nucleophilic addition mechanism, while F- was detected through deprotonating mechanism with a distinct color change from yellow to orange. The binding modes of receptor 1 with two analytes (CN-and F-) were proposed to be 1:1, based on Job plot, 1H NMR titration, and ESI-mass spectrometry analysis. Moreover, the sensing mechanisms for F- and CN- were theoretically supported by DFT and TD-DFT calculation.",

keywords = "Colorimetric, Cyanide, DFT calculations, Fluoride, Multiple analytes",

author = "Lee, \{Jae Jun\} and Park, \{Gyeong Jin\} and Choi, \{Ye Won\} and You, \{Ga Rim\} and Kim, \{Yong Sung\} and Lee, \{Sun Young\} and Cheal Kim",

year = "2015",

month = feb,

doi = "10.1016/j.snb.2014.10.081",

language = "English",

volume = "207",

pages = "123--132",

journal = "Sensors and Actuators, B: Chemical",

issn = "0925-4005",

number = "Part A",

}

TY - JOUR

T1 - Detection of multiple analytes (CN- and F-) based on a simple pyrazine-derived chemosensor in aqueous solution

T2 - Experimental and theoretical approaches

AU - Lee, Jae Jun

AU - Park, Gyeong Jin

AU - Choi, Ye Won

AU - You, Ga Rim

AU - Kim, Yong Sung

AU - Lee, Sun Young

AU - Kim, Cheal

PY - 2015/2

Y1 - 2015/2

N2 - A new colorimetric receptor 1 for the detection of CN- and F- has been simply developed. Receptor 1 showed selectively colorimetric responses to CN- in a near-perfect aqueous solution and F- in 10% aqueous solution, respectively. An obvious color change of 1 from yellow to colorless was observed for CN- through a nucleophilic addition mechanism, while F- was detected through deprotonating mechanism with a distinct color change from yellow to orange. The binding modes of receptor 1 with two analytes (CN-and F-) were proposed to be 1:1, based on Job plot, 1H NMR titration, and ESI-mass spectrometry analysis. Moreover, the sensing mechanisms for F- and CN- were theoretically supported by DFT and TD-DFT calculation.

AB - A new colorimetric receptor 1 for the detection of CN- and F- has been simply developed. Receptor 1 showed selectively colorimetric responses to CN- in a near-perfect aqueous solution and F- in 10% aqueous solution, respectively. An obvious color change of 1 from yellow to colorless was observed for CN- through a nucleophilic addition mechanism, while F- was detected through deprotonating mechanism with a distinct color change from yellow to orange. The binding modes of receptor 1 with two analytes (CN-and F-) were proposed to be 1:1, based on Job plot, 1H NMR titration, and ESI-mass spectrometry analysis. Moreover, the sensing mechanisms for F- and CN- were theoretically supported by DFT and TD-DFT calculation.

KW - Colorimetric

KW - Cyanide

KW - DFT calculations

KW - Fluoride

KW - Multiple analytes

UR - https://www.scopus.com/pages/publications/84910100887

U2 - 10.1016/j.snb.2014.10.081

DO - 10.1016/j.snb.2014.10.081

M3 - Article

AN - SCOPUS:84910100887

SN - 0925-4005

VL - 207

SP - 123

EP - 132

JO - Sensors and Actuators, B: Chemical

JF - Sensors and Actuators, B: Chemical

IS - Part A

ER -

Detection of multiple analytes (CN^- and F^-) based on a simple pyrazine-derived chemosensor in aqueous solution: Experimental and theoretical approaches

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this