Balazs, Gabor and Biegerl, Andreas and Groeger, Christian and Wachter, Joachim and Weihrich, Richard and Zabel, Manfred (2010) Theoretical and Spectroscopic Investigation of Coordination Compounds from P4S3, Copper(I) Iodide and W(CO)(5). EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (8). pp. 1231-1237. ISSN 1434-1948,
Full text not available from this repository. (Request a copy)Abstract
The formation of a new type of organometallic-inorganic hybrid coordination polymer from P4S3 center dot W(CO)(5) (1) and CuI has been studied. The structure of (P4S3 center dot W(CO)(5)}(CuI) (3) has been verified by the combination of spectroscopic (IR, Raman, P-31 MAS NMR) and X-ray diffraction methods. Theoretical studies of beta-P4S3, P4S3 center dot W(CO)(5) (1), 1D-(P4S3)(CuI) (2), and 3D-(P4S3)(CuI)(3) (4), which may be considered as potential building blocks of 3, were carried out on the DFT level in the crystalline phase. The comparison of calculated and measured vibration modes of the P4S3 cage allows the unequivocal assignment of the recorded Raman shifts between 200 and 480 cm(-1) and the determination of the degree of integration of P4S3 within the one-dimensional stacks of 2 or copper iodide networks of 3 and 4.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | GAUSSIAN-BASIS SETS; TETRAPHOSPHORUS TRISULFIDE; PHOSPHORUS SULFIDES; CRYSTAL-STRUCTURE; METAL-COMPLEXES; ETA(1)-P-BASAL COORDINATION; VIBRATIONAL FREQUENCIES; ELECTRONIC-STRUCTURE; CORRELATION-ENERGY; CAGE MOLECULE; Phosphorus; Sulfur; Copper; Tungsten; Coordination polymers; Density functional calculations |
| Subjects: | 500 Science > 540 Chemistry & allied sciences 500 Science > 570 Life sciences |
| Divisions: | Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie Chemistry and Pharmacy > Institut für Anorganische Chemie Chemistry and Pharmacy > Institut für Anorganische Chemie > Alumni or Retired Professors > Arbeitskreis Dr. Joachim Wachter |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 05 Aug 2020 05:25 |
| Last Modified: | 05 Aug 2020 05:25 |
| URI: | https://pred.uni-regensburg.de/id/eprint/25061 |
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