Effect of oxygen heteroatom on sensor-cyanide anions binding
نویسندگان
چکیده
The study aims to analyze the effect of heteroatom replacement on benzimidazole derivative chemosensor compounds ability form hydrogen bonds with anions. In this case, N in sensor compound (S1) is replaced O become a benzoxazole (S3). Calculating energy molecules involved electron level gives following results: replacing heteroatoms more electronegative atoms increases HOMO molecules, making reactive anions and strengthening binding cyanide
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ژورنال
عنوان ژورنال: Acta Chimica Asiana
سال: 2022
ISSN: ['2550-049X', '2550-0503']
DOI: https://doi.org/10.29303/aca.v5i2.118