TY - JOUR
T1 - Nuclear quadrupole coupling in an EPR investigation of a low-spin cobalt(II) system
AU - Duliba, Edward P.
AU - Seebauer, Edmund G.
AU - Linn Belford, R.
N1 - Funding Information:
We wish to thank Dr. D. L. Liczwek for providing the sodium maleonitrile-2,3-dithiolate and obtaining the S-band spectrum. We also thank Professor James S. Hyde and the National Biomedical ESR Center for permission to use the S-band equipment, made available under NIH Grant 5-P41-RR01008. This work was supported by the National Science Foundation, Quantum Chemistry Program.
PY - 1982/10/1
Y1 - 1982/10/1
N2 - The nuclear quadrupole coupling constants for a low-spin square planar cobalt(II) compound were determined by EPR spectroscopy. Oriented single crystals and powders of Co-doped [(C2H5)4N]2Ni(S2C4N2)2 were examined and their EPR spectra interpreted with the following spin Hamiltonian: H = βB·g·S + hI·A·S - gnβnB·I + hQD(Iz2 - 63 4) + hQE(Iz2 - Iy2) with parameters gx = 2.7822, gy = 2.0130, gz = 1.9815, Ax = 131.8 MHz, Ay = 69.0 MHz, Az = 59.5 MHz, QD = -0.9 MHz, and QE = 0.2 MHz, where the principal axis systems for A and Q coincide with that of g. The quadrupole coupling parameters are compared with other available examples and the general absence of quadrupolar effects in the EPR of other low-spin cobalt(II) single crystals discussed.
AB - The nuclear quadrupole coupling constants for a low-spin square planar cobalt(II) compound were determined by EPR spectroscopy. Oriented single crystals and powders of Co-doped [(C2H5)4N]2Ni(S2C4N2)2 were examined and their EPR spectra interpreted with the following spin Hamiltonian: H = βB·g·S + hI·A·S - gnβnB·I + hQD(Iz2 - 63 4) + hQE(Iz2 - Iy2) with parameters gx = 2.7822, gy = 2.0130, gz = 1.9815, Ax = 131.8 MHz, Ay = 69.0 MHz, Az = 59.5 MHz, QD = -0.9 MHz, and QE = 0.2 MHz, where the principal axis systems for A and Q coincide with that of g. The quadrupole coupling parameters are compared with other available examples and the general absence of quadrupolar effects in the EPR of other low-spin cobalt(II) single crystals discussed.
UR - http://www.scopus.com/inward/record.url?scp=19044390870&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=19044390870&partnerID=8YFLogxK
U2 - 10.1016/0022-2364(82)90262-1
DO - 10.1016/0022-2364(82)90262-1
M3 - Article
AN - SCOPUS:19044390870
SN - 0022-2364
VL - 49
SP - 507
EP - 516
JO - Journal of Magnetic Resonance (1969)
JF - Journal of Magnetic Resonance (1969)
IS - 3
ER -