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Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c00346
Abstract: Iron carbonyls are known to form 18-electron complexes like Fe(CO)5, Fe2(CO)9, and Fe3(CO)12 having terminal or bridged Fe-CO bonding. Based on genetic algorithm-assisted density functional theory (DFT) calculations, it is predicted that at pressures above…
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Keywords:
iron tetracarbonyl;
square planar;
chemistry;
geometry ... See more keywords