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Experimental and quantum chemical studies of structure and vibrational spectra of platinum(II) and palladium(II) thiourea chlorides |
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| Authors: | L Fuks N Sadlej-Sosnowska K Samochocka W Starosta |
| Institution: | aDepartment of Radiochemisty, Institute of Nuclear Chemistry and Technology, Dorodna 16, 03195 Warsaw, Poland bNational Institute for Public Health, Chelmska 30/34, 00-725 Warsaw, Poland cLaboratory of Nuclear Medicine and Oncological Endocrinology, Maria Sklodowska-Curie Memorial Cancer Centre and Institute of Oncology, Roentgena 5, 02-781 Warsaw, Poland |
| Abstract: | Equilibrium geometries of platinum(II) and palladium(II) tetrathiourea dichlorides have been determined by the X-Ray diffraction studies as well as calculated by the Density Functional Theory using the MPW1PW/LanL2DZ functional/basis set. Infrared spectra of the species have also been studied in the 4000–400 cm−1 frequency range both experimentally and theoretically. The experimental and theoretical data remain in satisfactory agreement. |
| Keywords: | Platinum Palladium Thiourea Structure IR spectra DFT |
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