Complexes of palladium(II) with theophylline-7-acetic acid
TL;DR: In this paper, the Pd(tpH) 2 Cl 2, tpH and xanthines are characterized by elemental and thermal analyses, electronic, infrared, 1 H and 13 C NMR spectroscopic studies.
About: This article is published in Inorganica Chimica Acta.The article was published on 1990-09-17. It has received 2 citations till now.
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TL;DR: In this paper, the structure of the compound formed with nickel(II), hexaaqua nickel (II) theophylline-7-acetate tetrahydrate has been solved by X-ray diffraction, this being the first example of a metal salt of an anionic purine derivative in which there is not a direct metal-purine bond.
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TL;DR: In this paper, the Pd(tpH) 2 Cl 2, tpH and xanthines are characterized by elemental and thermal analyses, electronic, infrared, 1 H and 13 C NMR spectroscopic studies.
Abstract: The complexes trans -[Pd(tpH) 2 Cl 2 ], tpH = theophylline-7-acetic acid; cis - and trans -[Pd(tpH)(BH)Cl 2 ],BH=adenine (adH), guanine (guaH) or cytosine (cytH); and trans -[Pd(tpH)(B′H)Cl 2 ] and [Pd(tp)(B′H)Cl], B′H = inosine (inoH) or guanosine (guoH) have been prepared and characterised by elemental and thermal analyses, electronic, infrared, 1 H and 13 C NMR spectroscopic studies. Coordination through the imidazole nitrogen, N9 and in some cases additional coordination through the acetate oxygen are demonstrated. The complexes with the theophylline-7-acetate anion are dimeric involving the bridging of theophylline-7-acetate anion. Extended Huckel molecular orbital (EHMO) calculations on tpH and structurally related xanthines indicate N9 of tpH is the most probable binding site which also agrees with the experimental results. The anticancer activity studies on the complex cis - [Pd(tpH)(cytH)Cl 2 ] against Dalton's lymphoma in Swiss mice indicate that the complex possesses marginal activity.
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TL;DR: In this article, the Slater-Condon theory of atomic spectra is evaluated from experimental atomic energy levels for B, C, N and O, and for their unipositive ions.
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