✦ LIBER ✦

Assessment of Density Functionals for the High-Spin/Low-Spin Energy Difference in the Low-Spin Iron(II) Tris(2,2′-bipyridine) Complex

✍ Scribed by Latévi Max Lawson Daku; Alfredo Vargas; Andreas Hauser; Antony Fouqueau; Mark Earl Casida

Publisher: John Wiley and Sons
Year: 2005
Tongue: English
Weight: 585 KB
Volume: 6
Category: Article
ISSN: 1439-4235
DOI: 10.1002/cphc.200400584

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The high-spin low-spin equilibrium of ir

The high-spin low-spin equilibrium of iron(II) in FeII(TRIM)2(PhCO2) (ClO4): Observation and interpretation of a gradual 5T2↔1A1 spin-state conversion

✍ G. Lemercier; A. Bousseksou; S. Seigneuric; F. Varret; J.-P. Tuchagues 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 469 KB

The Fe"(TRIM),(PhCO,) (ClO,) spin crossover complex (TRIM = 4'-(4-methylimidazole )-2'-(2"-methylimidazole) imidazole, PhCOr = C6H5C02) has been synthesized and investigated by Miissbauer spectroscopy and magnetic susceptibility measurements as a function of temperature. The spin conversion is gradu

The FeN bond lengths, the “ionic radii”

The FeN bond lengths, the “ionic radii” of iron (II), and the crystal field parameters (10Dq) in a high-spin and low-spin [FeII-N6] complex

✍ Edgar König; K.J. Watson 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 285 KB

Investigation of the low-spin to high-sp

Investigation of the low-spin to high-spin transition in a novel [Fe(pmea)(NCS)2] complex by IR and Raman spectroscopy and DFT calculations

✍ Georg Brehm; Markus Reiher; Boris Le Guennic; Michael Leibold; Siegfried Schindl 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 649 KB

## Abstract The X‐ray structures of the novel spin crossover complex [Fe(pmea)(NCS)~2~] with pmea = (bis[(2‐pyridyl)methyl]‐2‐(2‐pyridyl)ethylamin) were determined in its low‐spin (singlet, LS) and high‐spin state (quintet, HS) and compared with the optimized geometries produced by BP86 calculation

Ligand Strain and the Nature of Spin Cro

Ligand Strain and the Nature of Spin Crossover in Binuclear Complexes: Two-Step Spin Crossover in a 4,4′-Bipyridine-Bridged Iron(II) Complex [{Fe(dpia)(NCS)2}2(4,4′-bpy)] (dpia=di(2-picolyl)amine; 4,4′-bpy=4,4′-bipyridine)

✍ Alexander Yu. Verat; Nawel Ould-Moussa; Erwann Jeanneau; Boris Le Guennic; Azzed 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 741 KB

Photoinduced Valence Tautomerism in Coba

Photoinduced Valence Tautomerism in Cobalt Complexes Containing Semiquinone Anion as Ligand: Dynamics of the High-Spin [CoII(3,5-dtbsq)2] to Low-Spin [CoIII(3,5-dtbsq)(3,5-dtbcat)] Interconversion

✍ David M. Adams; Bulang Li; Prof. John D. Simon; Prof. David N. Hendrickson 📂 Article 📅 1995 🏛 John Wiley and Sons 🌐 English ⚖ 347 KB 👁 2 views