Site‐Specific Electronic Properties of [Ag 25 (SR) 18 ] − Nanoclusters by X‐Ray Spectroscopy

Small ◽  
2021 ◽  
pp. 2005162
Author(s):  
Ziyi Chen ◽  
Andrew G. Walsh ◽  
Xiao Wei ◽  
Manzhou Zhu ◽  
Peng Zhang
Keyword(s):  
Electronic Properties ◽  
Site Specific ◽  
X Ray

scholarly journals Site-Specific Electronic Properties of [Ag25(SR)18]- Nanoclusters by X-Ray Spectroscopy

2020 ◽  
Author(s):  
Ziyi Chen ◽  
Andrew Walsh ◽  
xiao wei ◽  
Manzhou Zhu ◽  
Peng Zhang
Keyword(s):  
Electronic Properties ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Xanes Spectrum ◽  
Density Functional Theory Calculations ◽  
Edge Structure ◽  
Site Specific ◽  
X Ray ◽  
Quantum Simulations ◽  
Bonding Properties

We present the site-specific electronic properties of Ag<sub>25</sub>(SR)<sub>18 </sub>and Au<sub>25</sub>(SR)<sub>18</sub> using X-ray spectroscopy experiments and quantum simulations. To overcome the final state effect observed in X-ray photoelectron spectroscopy (XPS), a unique method was developed to reliably analyze the charge transfer behavior of the NCs. Density functional theory calculations were combined with XPS to provide more insight into the electronic properties of the NCs. The differences in the XPS valence bands of these two NCs were further compared and interpreted using the relativistic effect. The first derivative of the X-ray absorption near-edge structure (XANES) spectrum was further used as a tool to sensitively probe the bonding properties of Ag<sub>25</sub>(SR)<sub>18</sub>. By combining the experimental XANES data and their site-specific quantum simulations, the large impact of the staple motif on the bonding properties of the NC was demonstrated. These findings highlight the unique electronic properties of each atomic site in Ag<sub>25</sub>(SR)<sub>18</sub>; the effective X-ray analysis techniques developed here can offer new opportunities for the site-specific study of other NCs.

scholarly journals Site-Specific Electronic Properties of [Ag25(SR)18]- Nanoclusters by X-Ray Spectroscopy

2020 ◽  
Author(s):  
Ziyi Chen ◽  
Andrew Walsh ◽  
xiao wei ◽  
Manzhou Zhu ◽  
Peng Zhang
Keyword(s):  
Electronic Properties ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Xanes Spectrum ◽  
Density Functional Theory Calculations ◽  
Edge Structure ◽  
Site Specific ◽  
X Ray ◽  
Quantum Simulations ◽  
Bonding Properties

We present the site-specific electronic properties of Ag<sub>25</sub>(SR)<sub>18 </sub>and Au<sub>25</sub>(SR)<sub>18</sub> using X-ray spectroscopy experiments and quantum simulations. To overcome the final state effect observed in X-ray photoelectron spectroscopy (XPS), a unique method was developed to reliably analyze the charge transfer behavior of the NCs. Density functional theory calculations were combined with XPS to provide more insight into the electronic properties of the NCs. The differences in the XPS valence bands of these two NCs were further compared and interpreted using the relativistic effect. The first derivative of the X-ray absorption near-edge structure (XANES) spectrum was further used as a tool to sensitively probe the bonding properties of Ag<sub>25</sub>(SR)<sub>18</sub>. By combining the experimental XANES data and their site-specific quantum simulations, the large impact of the staple motif on the bonding properties of the NC was demonstrated. These findings highlight the unique electronic properties of each atomic site in Ag<sub>25</sub>(SR)<sub>18</sub>; the effective X-ray analysis techniques developed here can offer new opportunities for the site-specific study of other NCs.

Cyclometalated Pt(ii) complexes with a bidentate Schiff-base ligand displaying unexpected cis/trans isomerism: synthesis, structures and electronic properties

2017 ◽  
Vol 46 (37) ◽  
pp. 12500-12506 ◽  
Author(s):  
A. Poma ◽  
A. Forni ◽  
C. Baldoli ◽  
P. R. Mussini ◽  
A. Bossi
Keyword(s):  
Schiff Base ◽  
Electronic Properties ◽  
Computational Methods ◽  
Schiff Base Ligand ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bidentate Schiff Base Ligand

Unexpected cis/trans isomerism in a bis-cyclometalated Pt(ii) complex is investigated by NMR, X-ray diffraction, optical, electrochemical and computational methods and rationalized.

Necessity of Site-specific BMD Measurements using Dual X-ray Absorptiometry

1995 ◽  
Vol 32 (6) ◽  
pp. 971 ◽  
Author(s):  
Seoung Oh Yang ◽  
Yung Il Lee ◽  
Duck Hwan Chung ◽  
Jung Mi Lee ◽  
Jong Young Oh
Keyword(s):  
Site Specific ◽  
X Ray

scholarly journals Synthesis and Optoelectronic Properties of Iptycene–Naphthazarin Dyes

Synlett ◽  
2018 ◽  
Vol 30 (01) ◽  
pp. 54-58 ◽  
Author(s):  
Timothy Swager ◽  
Cagatay Dengiz ◽  
You-Chi Wu
Keyword(s):  
Single Crystal ◽  
Electronic Properties ◽  
Diels Alder ◽  
Optoelectronic Properties ◽  
Synthesis And Characterization ◽  
Nmr Analysis ◽  
X Ray ◽  
Vis Spectroscopy

We report the synthesis and characterization of iptycene–naphthazarin dyes by using a sequential Diels–Alder approach. The tautomerization of naphthazarin was used as the key step in the synthesis, with structures confirmed by single-crystal X-ray and NMR analysis. The systematic trends in electronic properties were investigated by UV/Vis spectroscopy. BF2 complexes of the dyes were prepared by reaction with BF3·OEt2 in CH2Cl2.

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