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Atom‐by‐atom substitution is a promising strategy for designing new cluster‐based materials, which has been used to generate new gold‐ and silver‐containing clusters. Here, the first study focused on atom‐by‐atom substitution of Fe and Ni to the core of a well‐defined cobalt sulfide superatom [Co6S8L6]+ ligated with triethylphosphine (L = PEt3) to produce [Co5MS8L6]+ (M = Fe, Ni) is reported. Electrospray...
A systematic study, based on density functional theory and different hybrid functionals for exchange-correlation potential, shows that the electron affinities of organo-zintl clusters [Ge9(R)n] [R=CHO; n=1, 3] are close to that of chlorine (3.6eV) and iodine (3.0eV). A detailed study of the molecular orbitals of these complexes, when compared to those of Al13−, Cl− and I−, confirm that they behave...
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