1. Molecular structure of the 2:2 complex of cyclic oxaalkyl diamide of o-phthalic acid with sodium perchlorate
- Author
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Huczyński, Adam, Ratajczak-Sitarz, Małgorzata, Katrusiak, Andrzej, and Brzezinski, Bogumil
- Subjects
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MOLECULAR structure , *MACROCYCLIC compounds , *LIGANDS (Chemistry) , *AMIDES , *PHTHALIC acid , *SODIUM compounds , *METAL complexes , *FOURIER transform infrared spectroscopy , *SOLUTION (Chemistry) - Abstract
Abstract: Structure of the 2:2 complex of cyclic oxaalkyl diamide of o-phthalic acid (CPhDA) with sodium perchlorate is studied by X-ray diffraction, ESI-MS, FT-IR, 1H and 13C NMR as well as PM5 semiempirical methods. The crystal space group is P2 1 /n with a =8.599(1)Å, b =14.802(2)Å, c =13.988(2)Å, β= 93.37(1)° and Z =4. In the dimeric crystal structure each sodium cation is coordinated by oxygen atoms of two CPhDA molecules. The ESI-MS measurements have proved that in the gas phase the 2:2 (or 1:1) as well as 2:1 complexes are formed. In the acetonitrile solution the equilibrium between the 2:2 and 1:1 complexes is found. The structures of the 2:2, 1:1 and 2:1 complexes of CPhDA with sodium cation are visualized using the PM5 method and discussed in detail. [Copyright &y& Elsevier]
- Published
- 2010
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