Premium
Anisotropy of local relaxation properties of macromolecules. Spin‐lattice relaxation of 13 C nuclei, the nuclear overhauser effect and the estimation of parameters of an equivalent ellipsoid for kinetic segments of polymer chains
Author(s) -
Gotlib Yuli Ya.,
Torchinski Isaak A.,
Shevelev Vladimir A.
Publication year - 1993
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.1993.040020102
Subject(s) - anisotropy , kinetic energy , relaxation (psychology) , chemistry , spin–lattice relaxation , nuclear overhauser effect , molecular physics , nuclear magnetic resonance , spectral line , ellipsoid , lattice (music) , physics , nuclear magnetic resonance spectroscopy , classical mechanics , quantum mechanics , nuclear quadrupole resonance , psychology , social psychology , acoustics , astronomy
The expressions for the functions of spectral density at different orientations of the components of the internuclear vector with respect to the chain backbone, the frequency dependences of the spin‐lattice relaxation time of 13 C nuclei ( T 1C ) and the values of the nuclear Overhauser effect (NOE) were obtained for the tetrahedral lattice model of a polymer chain with three‐unit kinetic elements. It was shown that peculiar features of the behavior of T 1C and NOE reflect the characteristic properties of the spectra of relaxation (correlation) times for “longitudinal” and “transverse” components of the internuclear vector. It was established that in the range of relatively short times of the relaxation spectrum the dynamics of an anisotropic kinetic segment of the chain may be described with the aid of a simple model of an elongated ellipsoid of rotation with an axial ratio of about 10. It is shown that the equivalent‐ellipsoid model leads to significant differences from a more specific model of chain dynamics when a broad frequency range is considered.