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Pt(II) Complexes with Linear Diamines—Part I: Vibrational Study of Pt-Diaminopropane
- Source :
- Repositório Científico de Acesso Aberto de Portugal, Repositório Científico de Acesso Aberto de Portugal (RCAAP), instacron:RCAAP
- Publication Year :
- 2012
-
Abstract
- A conformational analysis of the Pt(dap)Cl2complex (-diaminopropane) was performed by vibrational spectroscopy (FTIR, Raman, and INS), coupled to quantum mechanical methods within the density functional theory (DFT) and effective core potential (ECP) approaches. A complete spectral assignment of the system was achieved, due to the combined use of all available vibrational spectroscopic techniques. A good agreement was found between experimental and theoretical results, as well as with reported data for analogous complexes (e.g., cisplatin).
- Subjects :
- 010405 organic chemistry
Chemistry
Combined use
Infrared spectroscopy
010402 general chemistry
01 natural sciences
0104 chemical sciences
symbols.namesake
Computational chemistry
symbols
Physical chemistry
Density functional theory
Fourier transform infrared spectroscopy
Physics::Chemical Physics
Raman spectroscopy
Spectroscopy
Subjects
Details
- Language :
- English
- Database :
- OpenAIRE
- Journal :
- Repositório Científico de Acesso Aberto de Portugal, Repositório Científico de Acesso Aberto de Portugal (RCAAP), instacron:RCAAP
- Accession number :
- edsair.doi.dedup.....788a6cd0af30d6afc8aed683831dfecc