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Tri‐icosahedral Au 37 cluster as a carrier/detector for anti‐cancer cisplatin drug
Author(s) -
PalaciosÁlvarez Omar,
TlahuiceFlores Alfredo
Publication year - 2019
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.5498
Subject(s) - cisplatin , chemistry , cluster (spacecraft) , molecule , icosahedral symmetry , adsorption , dimer , crystallography , organic chemistry , medicine , surgery , chemotherapy , computer science , programming language
In this work, DFT studies devoted to the adsorption of anti‐cancer cisplatin drug and one cationic tri‐icosahedral Au 37 cluster are addressed, which are aiming to explore the application of thiolate/phosphine protected gold clusters as carriers/detectors for cisplatin molecules. The Au 37 cluster is able to adsorb up to four cisplatin molecules, and the cisplatin 4 /Au 37 complex holds a 1.71 eV adsorption energy value. Further atomic population analysis reveals that adsorbed cisplatin molecules bear major partial charges, attesting an asymmetric distribution of electrons into their bonds. Vibrational assignments of two enhanced IR and Raman signals (circa the 200‐fold boost) disclose the coupling of some normal modes of the cisplatin dimer with the Au 37 cluster, making this cluster able to detect small concentrations of cisplatin molecules.