| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1231422 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2012 | 5 Pages |
Abstract
⺠Spin crossover compound [Fe(pmea)(NCS)2]. ⺠The vibrational modes and IR spectra, spin splitting energies, excited states and UV/vis absorption spectra were predicted. ⺠We inferred that this complex may act as a reversible optical switch via the LIESST effect and its reverse process.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
![DFT/TD-DFT study of the spin transition complex [Fe(pmea)(NCS)2]](/preview/png/1231422.png "First Page Preview: DFT/TD-DFT study of the spin transition complex [Fe(pmea)(NCS)2]")
Authors
Yuhui Qu,