New mononuclear mercury(II) complexes of a bifunctionalized ylide containing five-membered chelate ring: Spectral and structural characterization

作者：Sabounchei Seyyed Javad^*; Samiee Sepideh; Salehzadeh Sadegh; Nojini Zabihollah Bolboli; Bayat Mehdi; Irran Elisabeth; Borowski Marina

来源：Inorganica Chimica Acta, 2010, 363(14): 3654-3661.

DOI：10.1016/j.ica.2010.05.004

• Bifunctionalized ylide
• Mercury(II) halides
• X-ray crystal structure

The reaction of a new bifunctionalized ylide, Ph(2)PCH(2)PPh(2)=C(H)C(O)(C(6)H(4)Cl) (2) with mercury(II) halides in equimolar ratios using dry methanol as solvent yielded the P, C-chelated complexes, {HgX(2) [Ph(2)PCH(2)PPh(2)C(H)C(O)(C(6)H(4)Cl)]} where X = Cl (3), Br (4), I (5). The structures of complexes 4 and 5 have been characterized crystallographically. Single crystal X-ray analyses reveal the presence of mononuclear complexes containing Hg atom in a distorted tetrahedral environment. Characterization of the obtained compounds was also performed by elemental analysis, IR, (1)H, (31)P, and (13)C NMR. A theoretical study at DFT (B3LYP) level using standard CEP-31G basis set showed that the experimentally determined structure of the complex 5 is about 0.6-15.75 kcal mol (1) more stable than its other bonding modes.

• 出版日期2010-11-25