Structural information contained in the XPS spectra of nd10 metal cyanides

Cano, A.; Ávila, Y.; Ávila, M.; Reguera, E.

doi:10.1016/j.jssc.2019.05.021

Cited by 27 publications

(29 citation statements)

References 26 publications

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“…XPS spectra for AgCN materials obtained before and after reactions are shown in Figure 5. Both the deconvoluted Ag 3d 5/2 and N 1s spectra before and after the catalytic reactions exhibited identical peaks at 368.1 and 398.1 eV, respectively, consistent with the literature values of AgCN [15a,21] . The Ag 3d 5/2 spectra in the Ag nanomaterials obtained after the reaction exhibited two additional peaks, at 367.2 and 369.3 eV.…”

Section: Resultssupporting

confidence: 86%

Silver Cyanide Powder‐Catalyzed Selective Epoxidation of Cyclohexene and Styrene with its Surface Activation by H₂O_2(aq) and Assisted by CH₃CN as a Non‐Innocent Solvent

Janmanchi

et al. 2022

ChemCatChem

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We undertake silver cyanide (AgCN) powder for its catalytic epoxidation of cyclohexene or styrene in CH 3 CN with variable substrate-to-solvent volume ratios using H 2 O 2(aq) at 60 °C. The reaction mixtures can facilely separate into organic and aqueous layers. Cyclohexene oxide can be produced in the organic layer with 100 % selectivity from the substrate cyclohexene, while styrene oxide was identified with 80 % selectivity against benzaldehyde in styrene oxidation. After reactions, we can recycle the AgCN particles with comparable bulk property clarified via XRD, XPS, XAS, FT-IR, and 13 C-SS NMR spectroscopy. Using H 2 18 O 2 as the oxidant, both epoxide products and acetamide are highly enriched with 18 O-atom, indicating that the π bond-activation is essential for forming the cyclohexene/ styrene oxides in the organic and acetamide in the aqueous layers. The oxidation of cyclohexene/styrene catalyzed by AgCN powder through surface activation by H 2 O 2(aq) and assisted by the non-innocent CH 3 CN-originated acetamide can achieve highly selective π-bond activation with high reactivity.

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Section: Resultssupporting

confidence: 86%

Silver Cyanide Powder‐Catalyzed Selective Epoxidation of Cyclohexene and Styrene with its Surface Activation by H₂O_2(aq) and Assisted by CH₃CN as a Non‐Innocent Solvent

Janmanchi

et al. 2022

ChemCatChem

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“…X-ray photoelectron (XPS) spectra of AuCN reveals that in this coordination complex, the Au atoms have a 4f 7/2 binding energy like the one observed for metallic gold, 84.0 eV. [18] However, this criterion is not uniform in the literature [4,5,19,20] and more pieces of evidence are required. The presence of that metal-metal interaction has also been reported for the mixed metals cyanides, (Cu 1/2 Au 1/2 )CN, (Ag 1/2 Au 1/2 )CN, and (Cu 1/3 Ag 1/3 Au 1/3 )CN, which crystallize with the hexagonal structure corresponding to AuCN.…”

Section: Introductionmentioning

confidence: 98%

New Understanding on an Old Compound: Insights on the Origin of Chain Sequence Defects and Their Impact on the Electronic Structure of AuCN

et al. 2021

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Gold cyanide, AuCN, despite its simple formula unit, has surprising structural features not completely understood to date. The present contribution discusses the results of a structural study on the nature of defects found in 1D AuCN when submitted to mechanical grinding. This is an appropriate treatment to induce structural defects in that solid, which were identified for the first time by combining XRD, XPS, Raman, and UV-vis techniques. Furthermore, it is striking that the CNÀ AuÀ CN and CNÀ AuÀ NC sequences get disordered upon grinding while the NCÀ AuÀ CN gets ordered. Additionally, it is shown that the atomic chains apart from getting unraveled during the grinding process, are preferentially disrupted at the AuÀ N bond. The induced defects have a large impact on the UV-vis absorption spectrum of AuCN.

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“…Depending on the metal, they stabilize into two different conformations that are determined by long range (van der Waals) interactions between the metal cyanides from the different chains. [11] For CuCN, two phases have been reported at different temperatures. The low temperature phase (LT-CuCN) is characterized by a long-range wavy structure with nine CuCN units that present head to tail disorder of C�N groups (CN).…”

Section: Introductionmentioning

confidence: 99%

“…Zinc and cadmium systems are isostructural and crystallize in a cubic diamond-like unit cell in the Pn-3 m space group. [1,11] Both metals maintain a divalent nature, so their electronic d-shell (3d 10 , 4d 10 ) is fully populated. According to this, each metal center is bonded to four cyanide ligands, which act as a bridge between two consecutive metal centers.…”

Section: Introductionmentioning

confidence: 99%

An Insight into nd10 Metal Cyanide‐based Coordination Polymers Through ab‐initio Calculations: Electronic Properties and Optical Response

et al. 2023

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Semiconductors are essential for modern life since they are the basis of many current technologies that are related to better living standards. Some of them, characterized by the periodic assembling of metal cyanides with filled d-shell (nd 10 ) constitute an interesting series of cyanide-based coordination polymers with physical properties such like anomalous anisotropic thermal expansion and quantum confinement effects related to the polymer's width that can be exploited for technological applications. Herein, the electronic structure of nd 10 metal cyanide-based systems were studied both experimentally and through Density Functional Theory. The band gap found for one-dimensional (1D) À MÀ C�NÀ (M=Cu, Ag, Au) and tetrahedral MÀ (C�N) 2 (M=Zn, Cd, Hg) systems can be attributed to Laporteallowed π!π* (Metal to Ligand Charge Transfer mechanism) combined with metal center (d!s,p) electronic transitions. Aurophilic bonding was found on the AuCN structure, and a new forbidden electronic transition associated to its band gap is reported. Computed effective and reduced masses from carriers revealed that carrier mobility and quantum confinement effects are greater in 1D systems.

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Structural information contained in the XPS spectra of nd10 metal cyanides

Cited by 27 publications

References 26 publications

Silver Cyanide Powder‐Catalyzed Selective Epoxidation of Cyclohexene and Styrene with its Surface Activation by H₂O_2(aq) and Assisted by CH₃CN as a Non‐Innocent Solvent

Silver Cyanide Powder‐Catalyzed Selective Epoxidation of Cyclohexene and Styrene with its Surface Activation by H₂O_2(aq) and Assisted by CH₃CN as a Non‐Innocent Solvent

New Understanding on an Old Compound: Insights on the Origin of Chain Sequence Defects and Their Impact on the Electronic Structure of AuCN

An Insight into nd10 Metal Cyanide‐based Coordination Polymers Through ab‐initio Calculations: Electronic Properties and Optical Response

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Structural information contained in the XPS spectra of nd10 metal cyanides

Cited by 27 publications

References 26 publications

Silver Cyanide Powder‐Catalyzed Selective Epoxidation of Cyclohexene and Styrene with its Surface Activation by H2O2(aq) and Assisted by CH3CN as a Non‐Innocent Solvent

Silver Cyanide Powder‐Catalyzed Selective Epoxidation of Cyclohexene and Styrene with its Surface Activation by H2O2(aq) and Assisted by CH3CN as a Non‐Innocent Solvent

New Understanding on an Old Compound: Insights on the Origin of Chain Sequence Defects and Their Impact on the Electronic Structure of AuCN

An Insight into nd10 Metal Cyanide‐based Coordination Polymers Through ab‐initio Calculations: Electronic Properties and Optical Response

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Silver Cyanide Powder‐Catalyzed Selective Epoxidation of Cyclohexene and Styrene with its Surface Activation by H₂O_2(aq) and Assisted by CH₃CN as a Non‐Innocent Solvent

Silver Cyanide Powder‐Catalyzed Selective Epoxidation of Cyclohexene and Styrene with its Surface Activation by H₂O_2(aq) and Assisted by CH₃CN as a Non‐Innocent Solvent