Water Entrapped inside Fullerene Cages: A Potential Probe for Evaluation of Bond Polarization. (6th October 2016)

• Record Type: Journal Article
• Authors: Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro
• Is Part Of: Angewandte Chemie. Volume 128:Number 42(2016)
• Page Start: 13303
• Page End: 13307
• Publication Date: 2016-10-06
• Subjects: Bindungspolarisierung -- Fullerene -- NMR-Spektroskopie -- Relaxationsdauer -- Wasser; Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.201607040
• Languages: English
• ISSNs: 0044-8249

Abstract

Abstract: The concept of the bond polarization is a useful tool to understand chemical reactions and fundamental properties of compounds. However, experimental considerations are limited owing to its difficulty of reliable description. We demonstrated that geometrically isolated H2 O inside the cage of fullerene C60 is a possible probe to evaluate the polarization degree of covalent bonds C(C60 )−X (X=heteroatom) on the C60 cage. The 1 H NMR relaxation times of entrapped H2 O have been systematically measured at variable temperatures for H2 O@C60 X (X=CR2, NR, O, and O2 ). The results followed in the order of electronegativities of C (2.55), N (3.04), and O (3.44), indicating that entrapped H2 O can sensitively respond to the degree of the bond polarization.