An ESR study of [V(CN)5NO]4− in γ‐irradiated K3V(CN)5NO⋅2H2O

Autor:	Max T. Rogers, S. Vijaya, John R. Shock, Periakaruppan T. Manoharan
Rok vydání:	1975
Předmět:	Ligand General Physics and Astronomy Vanadium chemistry.chemical_element Electron Configuration interaction law.invention Crystallography chemistry law Molecular orbital Irradiation Physical and Theoretical Chemistry Atomic physics Electron paramagnetic resonance Hyperfine structure
Zdroj:	The Journal of Chemical Physics. 63:2507-2510
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.431639
Popis:	An ESR study of electron damaged K3V(CN)5NO⋅2H2O shows the presence of a d5 species V(CN)5NO4− with the spin Hamiltonian parameters g∥ = 1.974, g⊥ = 2.0007, A (51V) = −116.03×10−4 cm−1, B (51V) = −43.76×10−4 cm−1, A (14N) = −1.8×10−4 cm−1, and B (14N) = −6.42×10−4 cm−1. Results of a simplified semiempirical molecular orbital approach have been used to correlate the experimental spin Hamiltonian parameters of the isoelectronic d5 series from vanadium to iron. In addition, the ligand hyperfine splittings due to 14N have been explained on the basis of a configuration interaction mechanism.
Databáze:	OpenAIRE
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