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Cover Feature: Core Charge Density Dominated Size‐Conversion from Au 6 P 8 to Au 8 P 8 Cl 2 (Chem. Eur. J. 54/2020)
Author(s) -
Lv Ying,
Zhao Ruoya,
Weng Shiyin,
Yu Haizhu
Publication year - 2020
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.202003312
Subject(s) - dissociation (chemistry) , limiting , chemistry , density functional theory , charge density , cluster (spacecraft) , kinetic energy , crystallography , computational chemistry , physics , quantum mechanics , computer science , engineering , programming language , mechanical engineering
The kinetic profiles for the size‐conversion from [Au 6 (DPPP) 4 ] 2+ (carp) to [Au 8 (DPPP) 4 Cl 2 ] 2+ (dragon) has been elucidated by density functional theory calculations. The [Au 7 (DPPP) 4 ] 3+ (door) formed by Au I growth on Au 6 is the key intermediate, and its Au−P dissociation is the rate‐limiting step. The easiness for dissociating different Au−P bonds is regulated by core charge density of the cluster precursors. More information can be found in the Full Paper by H. Yu et al. on page 12382.