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Variable Asymmetric Chains in Transition Metal Oxyfluorides: Structure-Second-Harmonic-Generation Property Relationships
- Source :
- Inorganic chemistry. 57(11)
- Publication Year :
- 2018
-
Abstract
- Four novel transition metal oxyfluorides, [Zn(pz)3][MoO2F4]·0.1H2O (1), [Zn(pz)2F2][Zn(pz)3]2[WO2F4]2 (2), [Cd(pz)4][Cd(pz)4(H2O)][MoO2F4]2·0.625H2O (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, Pna21, is nonphase-matchable (Type I), and reveals a moderate second-harmonic-generation (SHG) efficiency (10 × α-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.
- Subjects :
- 010405 organic chemistry
Hydrogen bond
Second-harmonic generation
Trigonal crystal system
Pyrazole
010402 general chemistry
01 natural sciences
0104 chemical sciences
Inorganic Chemistry
chemistry.chemical_compound
Crystallography
chemistry
Zigzag
Transition metal
Physical and Theoretical Chemistry
Polarization (electrochemistry)
Subjects
Details
- ISSN :
- 1520510X
- Volume :
- 57
- Issue :
- 11
- Database :
- OpenAIRE
- Journal :
- Inorganic chemistry
- Accession number :
- edsair.doi.dedup.....0ec5a6e14f26ab08eb5d9ba7859ba2c2