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Title: Redox-Triggered Orientational Responses of Liquid Crystals to Chlorine Gas

Abstract

Surface‐supported liquid crystals (LCs) that exhibit orientational and thus optical responses upon exposure to ppb concentrations of Cl2 gas are reported. Computations identified Mn cations as candidate surface binding sites that undergo redox‐triggered changes in the strength of binding to nitrogen‐based LCs upon exposure to Cl2 gas. Guided by these predictions, μm‐thick films of nitrile‐ or pyridine‐containing LCs were prepared on surfaces decorated with Mn2+ binding sites as perchlorate salts. Following exposure to Cl2, formation of Mn4+ (in the form of MnO2 microparticles) was confirmed and an accompanying change in the orientation and optical appearance of the supported LC films was measured. In unoptimized systems, the LC orientational transitions provided the sensitivity and response times needed for monitoring human exposure to Cl2 gas. The response was also selective to Cl2 over other oxidizing agents such as air or NO2 and other chemical targets such as organophosphonates.

Authors:
ORCiD logo [1];  [1];  [1];  [1];  [2];  [2]; ORCiD logo [1]; ORCiD logo [1]
  1. Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Drive Madison WI 53706-1607 USA
  2. Department of Chemistry and Biochemistry, Kent State University, 1175 Risman Drive Kent OH 44242 USA
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory-National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)
OSTI Identifier:
1543473
DOE Contract Number:  
AC02-05CH11231; AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Angewandte Chemie (International Edition)
Additional Journal Information:
Journal Volume: 57; Journal Issue: 31; Journal ID: ISSN 1433-7851
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
Chemistry

Citation Formats

Szilvási, Tibor, Bao, Nanqi, Nayani, Karthik, Yu, Huaizhe, Rai, Prabin, Twieg, Robert J., Mavrikakis, Manos, and Abbott, Nicholas L. Redox-Triggered Orientational Responses of Liquid Crystals to Chlorine Gas. United States: N. p., 2018. Web. doi:10.1002/anie.201803194.
Szilvási, Tibor, Bao, Nanqi, Nayani, Karthik, Yu, Huaizhe, Rai, Prabin, Twieg, Robert J., Mavrikakis, Manos, & Abbott, Nicholas L. Redox-Triggered Orientational Responses of Liquid Crystals to Chlorine Gas. United States. doi:10.1002/anie.201803194.
Szilvási, Tibor, Bao, Nanqi, Nayani, Karthik, Yu, Huaizhe, Rai, Prabin, Twieg, Robert J., Mavrikakis, Manos, and Abbott, Nicholas L. Mon . "Redox-Triggered Orientational Responses of Liquid Crystals to Chlorine Gas". United States. doi:10.1002/anie.201803194.
@article{osti_1543473,
title = {Redox-Triggered Orientational Responses of Liquid Crystals to Chlorine Gas},
author = {Szilvási, Tibor and Bao, Nanqi and Nayani, Karthik and Yu, Huaizhe and Rai, Prabin and Twieg, Robert J. and Mavrikakis, Manos and Abbott, Nicholas L.},
abstractNote = {Surface‐supported liquid crystals (LCs) that exhibit orientational and thus optical responses upon exposure to ppb concentrations of Cl2 gas are reported. Computations identified Mn cations as candidate surface binding sites that undergo redox‐triggered changes in the strength of binding to nitrogen‐based LCs upon exposure to Cl2 gas. Guided by these predictions, μm‐thick films of nitrile‐ or pyridine‐containing LCs were prepared on surfaces decorated with Mn2+ binding sites as perchlorate salts. Following exposure to Cl2, formation of Mn4+ (in the form of MnO2 microparticles) was confirmed and an accompanying change in the orientation and optical appearance of the supported LC films was measured. In unoptimized systems, the LC orientational transitions provided the sensitivity and response times needed for monitoring human exposure to Cl2 gas. The response was also selective to Cl2 over other oxidizing agents such as air or NO2 and other chemical targets such as organophosphonates.},
doi = {10.1002/anie.201803194},
journal = {Angewandte Chemie (International Edition)},
issn = {1433-7851},
number = 31,
volume = 57,
place = {United States},
year = {2018},
month = {7}
}