Cover Feature: Core Charge Density Dominated Size‐Conversion from Au6P8 to Au8P8Cl2 (Chem. Eur. J. 54/2020). Issue 54 (2nd September 2020)

• Record Type: Journal Article
• Authors: Lv, Ying; Zhao, Ruoya; Weng, Shiyin; Yu, Haizhu
• Is Part Of: Chemistry. Volume 26:Issue 54(2020)
• Page Start: 12270
• Page End: 12270
• Publication Date: 2020-09-02
• Subjects: core charge density -- density functional calculations -- gold nanoclusters -- mechanism -- size-conversion; Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.202003312
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract : The kinetic profiles for the size‐conversion from [Au6 (DPPP)4 ] 2+ (carp) to [Au8 (DPPP)4 Cl2 ] 2+ (dragon) has been elucidated by density functional theory calculations. The [Au7 (DPPP)4 ] 3+ (door) formed by Au I growth on Au6 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 .