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Electron Cartography in Clusters
Author(s) -
Hernández Sánchez Raúl,
Champsaur Anouck M.,
Choi Bonnie,
Wang Suyin Grass,
Bu Wei,
Roy Xavier,
Chen YuSheng,
Steigerwald Michael L.,
Nuckolls Colin,
Paley Daniel W.
Publication year - 2018
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201806426
Subject(s) - cluster (spacecraft) , atom (system on chip) , zonal and meridional , chemistry , ligand (biochemistry) , crystallography , electron , electron density , electron diffraction , gold cluster , population , atomic physics , electron pair , chemical physics , molecular physics , diffraction , physics , electronic structure , computational chemistry , biochemistry , receptor , demography , atmospheric sciences , quantum mechanics , sociology , computer science , embedded system , optics , programming language
Deconvoluting the atom‐specific electron density within polynuclear systems remains a challenge. A multiple‐wavelength anomalous diffraction study on four clusters that share the same [Co 6 Se 8 ] core was performed. Two cluster types were designed, one having a symmetric ligand sphere and the other having an asymmetric ligand sphere. It was found that in the neutral, asymmetric, CO‐bound cluster, the Co−CO site is more highly oxidized than the other five Co atoms; when an electron is removed, the hole is distributed among the Se atoms. In the neutral, symmetric cluster, the Co atoms divide by electron population into two sets of three, each set being meridional; upon removal of an electron, the hole is distributed among all the Co atoms. This ligand‐dependent tuning of the electron/hole distribution relates directly to the performance of clusters in biological and synthetic systems.