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Estimation of the Vibrational Contribution to the Entropy Change Associated with the Low- to High-Spin Transition in Fe(phen) 2 (NCS) 2 Complexes: Results Obtained by IR and Raman Spectroscopy and DFT Calculations

✍ Scribed by Brehm, G.; Reiher, M.; Schneider, S.

Book ID
120399835
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
801 KB
Volume
106
Category
Article
ISSN
1089-5639

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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