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.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom