Variable Asymmetric Chains in Transition Metal Oxyfluorides: Structure Second-Harmonic-Generation Property Relationships
- Authors
- Ahmed, Belal; Jo, Hongil; Oh, Seung-Jin; Ok, Kang Min
- Issue Date
- Jun-2018
- Publisher
- AMER CHEMICAL SOC
- Citation
- INORGANIC CHEMISTRY, v.57, no.11, pp 6702 - 6709
- Pages
- 8
- Journal Title
- INORGANIC CHEMISTRY
- Volume
- 57
- Number
- 11
- Start Page
- 6702
- End Page
- 6709
- URI
- https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/2067
- DOI
- 10.1021/acs.inorgchem.8b00903
- ISSN
- 0020-1669
1520-510X
- Abstract
- Four novel transition metal oxyfluorides, [Zn(pz)(3)][MoO2F4] center dot 0.1H(2)O (1), [Zn(pz)(2)F-2] [Zn(pz)(3)](2)[WO2F4](2) (2), [Cd(pz)(4)][Cd(pz)(4)(H2O)][MoO2F4](2)center dot 0.625H(2)O (3), and [Zn(mpz)(3)](2)[MoO2F4](2) (4) (pz = pyrazole; mpz = 3-methyl pyrazole) have been synthesized. Compounds 1 and 4 contain helical chains. Compound 2 accommodates zigzag chains, and compound 3 has quasi-one-dimensional linear chains. The variable chain structures are found to be attributable to the different structure-directing anionic groups and hydrogen bonding interactions. Compound 4 crystallized in the noncentrosymmetric (NCS) polar space group, Pna2(1), is nonphasematchable (Type I), and reveals a moderate second-harmonic-generation (SHG) efficiency (10 X alpha-SiO2). The observed SHG efficiency of compound 4 is due to the small net polarization occurring from the arrangement of ZnN3F2 trigonal bipyramids. Spectroscopic and thermal characterizations along with calculations for the title materials are reported.
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