Premium
Water Entrapped inside Fullerene Cages: A Potential Probe for Evaluation of Bond Polarization
Author(s) -
Hashikawa Yoshifumi,
Murata Michihisa,
Wakamiya Atsushi,
Murata Yasujiro
Publication year - 2016
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201607040
Subject(s) - fullerene , electronegativity , covalent bond , heteroatom , polarization (electrochemistry) , chemical bond , bond order , chemistry , cage , degree of polarization , computational chemistry , materials science , chemical physics , crystallography , bond length , organic chemistry , optics , physics , ring (chemistry) , mathematics , combinatorics , crystal structure , scattering
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 H 2 O inside the cage of fullerene C 60 is a possible probe to evaluate the polarization degree of covalent bonds C(C 60 )−X (X=heteroatom) on the C 60 cage. The 1 H NMR relaxation times of entrapped H 2 O have been systematically measured at variable temperatures for H 2 O@C 60 X (X=CR 2 , NR, O, and O 2 ). The results followed in the order of electronegativities of C (2.55), N (3.04), and O (3.44), indicating that entrapped H 2 O can sensitively respond to the degree of the bond polarization.