The molecular structure of Mg(acac)2 determined by gas-phase electron diffraction and quantum mechanical calculations

✍ Scribed by Alexander V. Zakharov; Marwan Dakkouri; Alexander V. Krasnov; Georgiy V. Girichev; Irina G. Zaitzeva

• Publisher: Elsevier Science
• Year: 2004
• Tongue: English
• Weight: 168 KB
• Volume: 701
• Category: Article
• ISSN: 0022-2860
• DOI: 10.1016/j.molstruc.2004.05.019

✦ Synopsis

The molecular structure of magnesium bis-acetylacetonate has been determined by synchronous gas-phase electron diffraction (GED) and mass spectrometric experiment and quantum mechanical calculations

p), and MP2/6-311 þ G(d,p)). Both experimental and theoretical approaches yielded the structure of D 2d symmetry with chelate rings located in perpendicular planes. Major structural parameters determined by GED experiment are the following: bond distances r a (Mg -O) ¼ 1.966(4), r a (O-C) ¼ 1.279(2), r a (C -C 0 ) ¼ 1.408(3), r a (C -C m ) ¼ 1.534(4) A ˚; valence angles / a (O-Mg -O) ¼ 93.3(2), / a (O -C 0 -C) ¼ 125.3(2), / a (O-C-C m ) ¼ 116.2(4)8.