Pressure-induced local structure distortions in Cu(pyz)F{sub 2}(H{sub 2}O){sub 2}.
- Materials Science Division
We employed infrared spectroscopy along with complementary lattice dynamics and spin density calculations to investigate pressure-driven local structure distortions in the copper coordination polymer Cu(pyz)F{sub 2}(H{sub 2}O){sub 2}. Here, pyz is pyrazine. Our study reveals rich and fully reversible local lattice distortions that buckle the pyrazine ring, disrupt the bc-plane O-H {hor_ellipsis} F hydrogen-bonding network, and reinforce magnetic property switching. The resiliency of the soft organic ring is a major factor in the stability of this material. Interestingly, the collective character of the lattice vibrations masks direct information on the Cu-N and Cu-O linkages through the series of pressure-induced Jahn-Teller axis switching transitions, although Cu-F bond softening is clearly identified above 3 GPa. These findings illustrate the importance of combined bulk and local probe techniques for microscopic structure determination in complex materials.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC); National Science Foundation (NSF); Research Corp.
- DOE Contract Number:
- DE-AC02-06CH11357
- OSTI ID:
- 1019265
- Report Number(s):
- ANL/MSD/JA-70586; TRN: US201114%%735
- Journal Information:
- Inorg. Chem., Vol. 50, Issue 13 ; Jun. 6, 2011
- Country of Publication:
- United States
- Language:
- ENGLISH
Similar Records
Pressure Induced Local Structure Distortions in Cu(pyz)F2(H2O)2
Experimental and theoretical characterization of the magnetic properties of CuF{sub 2}(H{sub 2}O){sub 2}(pyz) (pyz = pyrazine) : a two-dimensional quantum magnet arising from super-superexchange interactions through hydrogen bonded paths.