Table 1 Spin Hamiltonian parameters

From: Electric control of magnetic exchange in a molecular spin triangle

Parameter

Triangle A

Triangle B

Spin

1/2

 1/2

gx

2.025

2.038

gy

2.055

2.067

gz

2.188

2.188

J (cm−1)

281

274

Linewidth (G) for c ┴ B0

100 (Gaussian), 120 (Lorentzian)

 100 (Gaussian), 120 (Lorentzian)

Hstrain (x, y, z) (MHz)

0, 0, 906

 0, 0, 906

  1. Values used to simulate the EPR and EFM-EPR spectra in Fig. 2: g-tensor and broadenings of the single copper ion line, and J couplings within the Cu–Cu pairs for the A and B triangles. A broadening due to a convolution of Gaussian and Lorentzian components is sufficient to reproduce the linewidth in the ab plane, while along c an Hstrain was also used to reproduce the unresolved hyperfine splitting. The latter is less pronounced in the ab plane due to the smaller hyperfine couplings expected along the x and y single-ion anisotropy axes.
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