Pressure Induced Local Structure Distortions in Cu(pyz)F2(H2O)2
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:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Organization:
- USDOE SC OFFICE OF SCIENCE (SC)
- DOE Contract Number:
- DE-AC02-98CH10886
- OSTI ID:
- 1034716
- Report Number(s):
- BNL-96328-2011-JA; INOCAJ; R&D Project: LS001; KC0401030; TRN: US1200901
- Journal Information:
- Inorganic Chemistry, Vol. 50, Issue 13; ISSN 0020-1669
- Country of Publication:
- United States
- Language:
- English
Similar Records
Pressure-induced local structure distortions in Cu(pyz)F{sub 2}(H{sub 2}O){sub 2}.
Strong H...F hydrogen bonds as synthons in polymeric quantum magnets: structural, magnetic, and theoretical characterization of [Cu(HF)(pyrazine)]SbF, [CuF(HF)(FH)(pyrazine)].(SbF), and [CuAg(HF)(pyrazine)](SbF).