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S-(-)-尼古丁与铜(II)离子配合物的光谱、电位和量子力学研究。

Spectroscopic, potentiometric and quantum-mechanical studies of S-(-)-nicotine complexes with Cu(II) ion.

作者信息

Jasiewicz Beata, Hoffmann Marcin, Gąsowska Anna, Jastrząb Renata, Malczewska-Jaskóła Karolina

出版信息

Acta Chim Slov. 2014;61(1):137-44.

Abstract

Copper(II)-nicotine complexes with chelating perchlorate, nitrate, acetate and formate ligands have been synthesized and characterized in solid state by elemental analysis and FT-IR spectroscopy. Coordination of Cu(II) by nicotine molecule has been also studied in water solution of various pH by potentiometry and spectroscopic (VIS, EPR and NMR) methods. Furthermore, quantum-mechanical calculations helped elucidate the experimental data as they provided some information on the energetic of the possible interaction modes of Cu(II) with nicotine. The studies showed that nicotine acts as a monodentate ligand utilizing for this purpose the pyridine nitrogen atom. In the Cu(II)/Nicotine system the MHL and ML type complexes were formed in 1:1 metal:ligand ratio.

摘要

已合成了与高氯酸根、硝酸根、乙酸根和甲酸根等螯合配体形成的铜(II)-尼古丁配合物,并通过元素分析和傅里叶变换红外光谱对其固态进行了表征。还通过电位滴定法和光谱法(可见光谱、电子顺磁共振光谱和核磁共振光谱)在不同pH值的水溶液中研究了尼古丁分子与铜(II)的配位情况。此外,量子力学计算有助于阐明实验数据,因为它们提供了一些关于铜(II)与尼古丁可能相互作用模式的能量信息。研究表明,尼古丁作为单齿配体,利用吡啶氮原子来实现这一目的。在铜(II)/尼古丁体系中,以1:1的金属:配体比例形成了MHL和ML型配合物。

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