Largely Enhancing the Blocking Energy Barrier and Temperature of a Linear Cobalt(II) Complex through the Structural Distortion: A Theoretical Exploration

Complete-active-space self-consistent field and N-electron valence second-order perturbation theory have both been employed to investigate the magnetic anisotropy of one two-coordinate cobalt­(II) compound via altering the Co–C bond lengths and twist angle φ. The calculated energy barrier U eff decr...

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Veröffentlicht in:	Inorganic chemistry 2022-01, Vol.61 (1), p.295-301
Hauptverfasser:	Lu, Fang, Guo, Wen-Xiao, Zhang, Yi-Quan
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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