Fluorination vs. Chlorination: Effect on the Sensor Response of Tetrasubstituted Zinc Phthalocyanine Films to Ammonia

In this work, the effect of fluorine and chlorine substituents in tetrasubstituted zinc phthalocyanines, introduced into the non-peripheral (ZnPcR4-np, R = F, Cl) and peripheral (ZnPcR4-p, R = F, Cl) positions of macrocycle, on their structure and chemiresistive sensor response to low concentration...

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Bibliographic Details
Published in:Chemosensors 2021-06, Vol.9 (6), p.137
Main Authors: Bonegardt, Dmitry, Klyamer, Darya, Sukhikh, Aleksandr, Krasnov, Pavel, Popovetskiy, Pavel, Basova, Tamara
Format: Article
Language:English
Subjects:
Air flow
Ammonia
ammonia halogen substituents
Atomic force microscopy
Atomic properties
Biomarkers
Bonding strength
Carbon dioxide
chemiresistive sensors
Chlorine
Comparative analysis
crystal structure
Dichloromethane
Electrodes
Ethanol
Fluorination
Fluorine
Gas flow
gas sensors
Gases
Glass substrates
Humidity
Hydrogen atoms
Hydrogen-based energy
Investigations
metal phthalocyanines
Microscopy
Morphology
Quantum chemistry
Sensors
Software packages
Thin films
Toluene
X-ray diffraction
Zinc
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Summary:In this work, the effect of fluorine and chlorine substituents in tetrasubstituted zinc phthalocyanines, introduced into the non-peripheral (ZnPcR4-np, R = F, Cl) and peripheral (ZnPcR4-p, R = F, Cl) positions of macrocycle, on their structure and chemiresistive sensor response to low concentration of ammonia is studied. The structure and morphology of the zinc phthalocyanines films (ZnPcR4) were investigated by X-ray diffraction and atomic force microscopy methods. To understand different effects of chlorine and fluorine substituents, the strength and nature of the bonding of ammonia and ZnPcHal4 molecules were studied by quantum chemical simulation. It was shown on the basis of comparative analysis that the sensor response to ammonia was found to increase in the order ZnPcCl4-np < ZnPcF4-np < ZnPcF4-p < ZnPcCl4-p, which is in good agreement with the values of bonding energy between hydrogen atoms of NH3 and halogen substituents in the phthalocyanine rings. ZnPcCl4-p films demonstrate the maximal sensor response to ammonia with the calculated detection limit of 0.01 ppm; however, they are more sensitive to humidity than ZnPcF4-p films. It was shown that both ZnPcF4-p and ZnPcCl4-p and can be used for the selective detection of NH3 in the presence of carbon dioxide, dichloromethane, acetone, toluene, and ethanol.
ISSN:2227-9040
2227-9040
DOI:10.3390/chemosensors9060137