Comparison of ESEEM, ESE-ENDOR, and CW-ENDOR on 14N in a powder

• Published in: Journal of magnetic resonance (1969) 1986-03, Vol.67 (1), p.114-124
• Main Authors: Reijerse, E.J, Van Aerle, N.A.J.M, Keijzers, C.P, Böttcher, R, Kirmse, R, Stach, J
• Format: Article
• Language: English
• Subjects: Atomic and molecular physics; Exact sciences and technology; Molecular properties and interactions with photons; Multiple resonances (including double and higher-order resonance processes, such as double nuclear magnetic resonance, electron double resonance and microwave optical double resonance); Physics
• ISSN: 0022-2364; 1557-8968
• DOI: 10.1016/0022-2364(86)90414-2

Three different techniques were applied for the determination of the 14N couplings in powdered 0.3% copper-doped nickel(II)bis( NN-diethyl dithiocarbamate): electron spinecho envelope modulation (ESEEM), electron spin-echo ENDOR, and continuous-wave ENDOR. Comparison of the experimental data obtained with these methods shows their complementary nature and suggests that ESEEM and one of the ENDOR techniques should be applied together to obtain maximum information. The various powder spectra were simulated using tensors which are known from single-crystal studies. Intensities and transition probabilities were computed by complete diagonalization of the spin-Hamiltonian matrix. The correspondence with the experimental spectra is quite promising.