Novel Cyanide-Bridged Heterometallic Two-Dimensional Complex of 3-Methylpyridazine: Synthesis, Crystallographical, Vibrational, Thermal and DFT Studies
Makaleler > Tam Makale · 2015
Yazarlar: Kansu Gor, Mahir Tursun, Guerkan KESAN, Gunes Suheyla Kurkcuoglu, Lydia RHYMAN, Cemal PARLAK, Ponnadurai RAMASAMİ, Okan Zafer Yesilel, Orhan Buyukgungor
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS, SCI Expanded İndekslerine Giren Dergi, Uluslararası, 2015, cilt 25, ss 1205-1217
DOI: 10.1007/s10904-015-0229-y
Özet
A novel Cu/Pd heterometallic cyanide-bridged complex of 3-methylpyridazine (3-mpdz), [Cu(3-mpdz)(2)Pd(A mu-CN)(4)](n), was synthesized and its structure was characterized by FT-IR, Raman, single-crystal X-ray diffraction and thermal/elemental analysis techniques. The conformers, optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of the complex were examined by means of the density functional theory method, the Becke-3-Lee-Yang-Parr (B3LYP) functional and the LANL2DZ basis set. Reliable vibrational assignments were investigated by the potential energy distribution analysis. The complex crystallizes in the triclinic space group P-1 with the unit cell parameters a = 6.6836(4) , b = 7.7777(5) , c = 8.9009(6) , alpha = 113.573(5)A degrees, beta A = 94.565(6)A degrees and gamma A = 92.437(5)A degrees. There is a good interplay between experimental and theoretical findings to understand the complex at molecular level. The synthesised complex with potential industrial applications will add to the literature of the cyanide-bridged tetracyanometallates.