title: Design and synthesis of thiourea based receptor containing naphthalene as oxalate selective sensor.
abstract: The thiourea based receptor containing naphthalene groups (1), has been successfully designed and synthesized for application as an oxalate receptor. A density functional theory at B3LYP/6-31G(d,p) level of theory has been applied to predict the binding ability between 1 and selected anions, i.e., oxalate, malonate, succinate, glutarate, dihydrogen phosphate, and hydrogen sulphate. Calculation results point out that receptor 1 shows the strongest interaction to oxalate ion with the binding free energy of 172.48 kcal mol(-1). The recognition ability of 1 to the selected anions has been also investigated by means of the absorption and emission techniques. Experimental results are in excellent agreement with the calculation data in which receptor 1 shows highly selective for oxalate ion over the other anions with logbeta of 3.82 (0.02) M(-1) by means of the size of binding cavity.
authors.affiliation: Department of Chemistry, Faculty of Science, Mahasarakham University, Mahasarakham 44150, Thailand.
authors.forename: Nongnit
authors.initials: N
authors.lastname: Morakot
authors.forename: Wandee
authors.initials: W
authors.lastname: Rakrai
authors.forename: Somchai
authors.initials: S
authors.lastname: Keawwangchai
authors.forename: Chatthai
authors.initials: C
authors.lastname: Kaewtong
authors.forename: Banchob
authors.initials: B
authors.lastname: Wanno
mesh_terms: D015374:Biosensing Techniques; D005453:Fluorescence; D015394:Molecular Structure; D009281:Naphthalenes / Q000737:chemistry*; D010070:Oxalates / Q000737:chemistry / Q000302:isolation & purification; D013890:Thiourea / Q000138:chemical synthesis / Q000737:chemistry
chemical_list: D009281:Naphthalenes; D010070:Oxalates; C031721:naphthalene; D013890:Thiourea