Rlx sbm.m

Solomon-Bloembergen-Morgan nuclear relaxation rates due to a paramagnetic centre. The nuclear Larmor frequency is taken from spin.m and the electron Larmor frequency from the effective g-factor; the dipolar mechanism uses correlation times 1/(1/tau_r+1/t1e) and 1/(1/tau_r+1/t2e) for the terms that involve the longitudinal and the transverse electron relaxation respectively, with the prefactor (mu0/4*pi)^2*(gamma_I*g_eff*muB)^2*S*(S+1)/r^6 and the distance converted from Angstrom into metres. The contact mechanism uses t2e in the zero-quantum spectral density and adds the t1e Redfield term to the transverse rate. Both mechanisms are returned separately rather than summed.

Syntax

    [r1,r2]=rlx_sbm(B0,nucleus,dist,a_iso,e_spin,g_eff,t1e,t2e,tau_r)

Parameters

    B0       - magnet field, Tesla

    nucleus  - nuclear isotope, e.g. '1H' or '13C'

    dist     - electron-nucleus distance, Angstrom

    a_iso    - isotropic hyperfine coupling, rad/s

    e_spin   - effective electron spin quantum number

    g_eff    - effective electron g-factor

    t1e      - longitudinal electron relaxation time, seconds

    t2e      - transverse electron relaxation time, seconds

    tau_r    - rotational correlation time, seconds

Outputs

    r1       - longitudinal rates [dipolar contact], Hz

    r2       - transverse rates [dipolar contact], Hz

Notes

The spectral density convention is J(omega,tau)=tau/(1+omega^2*tau^2).

See also

brokensymm.m, levelpop.m, quad_shift.m, r1csa2tauc.m, r1n_dnp.m, r2csa2tauc.m, rlx_csa.m, rlx_dd_csa.m, rlx_dip.m, rlx_hfc.m, rlx_nqi.m, trosy_eff.m, Textbook module

Version 2.13, authors: Ilya Kuprov