Electronic structure of calix[4]arene thioethers and their complexes with palladium, as studied by X-ray emission spectroscopy, X-ray photoelectron spectroscopy, and quantum chemistry

被引：0

作者：

Kryuchkova N.A. ^{[1
,2
]}

Kostin G.A. ^{[1
,2
]}

Korotaev E.V. ^{[1
]}

Mazalov L.N. ^{[1
,2
]}

Torgov V.G. ^{[1
]}

机构：

[1] A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, 3 prosp. Lavrentyeva, Novosibirsk

[2] Novosibirsk State University, 2 ul. Pirogova, Novosibirsk

来源：

Russian Chemical Bulletin | 2015年 / 64卷 / 8期

关键词：

calix[4]arene thioethers; DFT calculations; X-ray emission spectroscopy; X-ray photoelectron spectroscopy;

D O I：

10.1007/s11172-015-1073-5

中图分类号：

学科分类号：

摘要：

The charge state of calix[4]arene thioethers and their complexes with palladium was studied by X-ray emission spectroscopy and X-ray photoelectron spectroscopy. Experimental data were compared with the results of quantumchemical calculations. The involvement of the sulfur lone electron pairs in the coordination to Pd atoms causes a decrease in the energies of the corresponding MOs having contributions from the sulfur 3p AOs and, consequently, a decrease in the intensity of the maximum A on going from the S(Kβ) spectra of free ligands to the spectra of complexes. The binuclear nature of the complexes does not lead to the onset of significant additional interactions between two metal centers. © 2015, Springer Science+Business Media New York.

引用

页码：1796 / 1800

页数：4

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