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초록
Cis-5,15-bis(3,5-trifluoromethylphenyl)calix[4]pyrrole (1) forms stable 1/1 complexes with linear anions such as N-3(-), SCN- and NCO- with the highest affinity for NCO- anion in acetonitrile solution. Crystallization of receptor 1 with TBASCN and (TMA)(2)SO4 resulted in the formation of dimeric capsular assembly, {(TMA)(2)[1(2) & sdot; (SCN)(2)]}, in which two thiocyanate anions are encapsulated. On the other hand, 1 & sdot; OCN(TMA) and 1 & sdot; N-3(TMA) complexes form one dimensional columnar structure in the solid state.
키워드
calix[4]pyrrole; CF-FC interaction; cyanate binding; DFT calculations; dimeric capsular assembly; BONDED SUPRAMOLECULAR CAPSULES; BASIS-SETS; CYANATE; CHEMISTRY
- 제목
- Binding of Linear Anions and Formation of Anion Encapsulated Dimeric Capsular Assembly by Cis-5,15-bis(3,5-trifluoromethylphenyl)calix[4]pyrrole
- 저자
- Patra, Ashoke Kumar; Roy, Anik; Gomila, Rosa M.; Kundu, Somenath; Srimayee, Soumya; Halder, Dibakar; Saha, Rajat; Lee, Chang-Hee; Hossain, Maidul; Frontera, Antonio; Manna, Debasis; Saha, Indrajit
- 발행일
- 2024-08-05
- 유형
- Article
- 권
- 27
- 호
- 29