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Vibrational spectrum of the spin crossover complex [Fe(phen)2(NCS)2] studied by IR and Raman spectroscopy, nuclear inelastic scattering and DFT calculations

✍ Scribed by Ronayne, Kate L.; Paulsen, Hauke; H?fer, Andreas; Dennis, Andrew C.; Wolny, Juliusz A.; Chumakov, Aleksandr I.; Sch?nemann, Volker; Winkler, Heiner; Spiering, Hartmut; Bousseksou, Azzedine; G?tlich, Philipp; Trautwein, Alfred X.; McGarvey, John J.

Book ID
126271291
Publisher
Royal Society of Chemistry
Year
2006
Tongue
English
Weight
807 KB
Volume
8
Category
Article
ISSN
1463-9076

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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