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] Russian Acad Sci, Siberian Branch, AV Nikolaev Inst Inorgan Chem, 3 Prosp Lavrentyeva, Novosibirsk 630090, Russia
[2] Novosibirsk State Univ, 2 Ul Pirogova, Novosibirsk 630090, Russia
来源：
RUSSIAN CHEMICAL BULLETIN | 2015年 / 64卷 / 08期
关键词：
calix[4]arene thioethers; X-ray photoelectron spectroscopy; X-ray emission spectroscopy; DFT calculations; HYDROCHLORIC-ACID SOLUTIONS; UPPER-RIM; EXTRACTION; GOLD(III); REDUCTION; DENSITY; METALS; SULFUR; PD(II);
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
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(K beta) 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.
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页码：1796 / 1800
页数：5
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