Electronic transitions of iridium monophosphide

Yang, Mei; Chan, Mei‐Yee; Cheung, Any

doi:10.1016/j.cplett.2016.04.046

Cited by 3 publications

(3 citation statements)

References 18 publications

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“…While cobalt phosphide 7,17,18,21,22 and rhodium phosphide [23][24][25][26][27][28][29] catalysts have both been the subject of active study in recent literature, the catalytic properties [30][31][32][33] of iridium phosphides have been less explored outside of structural and physical studies over the last half century, [34][35][36][37][38][39][40][41][42][43][44][45] in part due to their difficult syntheses. 46 This is in spite of the fact that, given the similarity often observed in the behavior of metal phosphides to their metal analogues, iridium-derived catalysts have often been found to be exceptional catalysts for reactions of great industrial value 47, 48 such as alkane dehydrogenation.…”

Section: -20mentioning

confidence: 99%

In Situ Formation of a Sub-Nanometer Iridium Phosphide Catalyst from Supported Organometallic Species

Sheludko

Wegener

Çelik

et al. 2020

Preprint

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While several metal phosphides have attracted significant attention in the last several years due to their potential use as photocatalytic and hydrotreating catalysts, iridium phosphide has remained largely unexplored. In this work, silica-supported pincer-iridium species are thermolyzed, resulting in deconstruction of the tridentate ligand precursor and formation of a sub-nanometer iridium phosphide phase characterized by 31P magic angle spinning nuclear magnetic resonance (31P-MAS-NMR), X-ray absorption spectroscopy (XAS), and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). The support material was found to play an active role in determining the product of the surface thermolysis, with the silica supported material generating phosphorus rich iridium phosphide nanoparticles. The resulting silica-supported iridium phosphide phase is explored as a thermocatalyst for non-oxidative butane dehydrogenation, achieving high initial reaction rates up to 900 molbutenes molcatalyst-1 hr-1 and a terminal olefin selectivity of up to 70 %.

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Section: -20mentioning

confidence: 99%

In Situ Formation of a Sub-Nanometer Iridium Phosphide Catalyst from Supported Organometallic Species

Sheludko

Wegener

Çelik

et al. 2020

Preprint

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“…There are enormous experimental works on diatomic metal silicides, such as FeSi, CoSi, NiSi, , RuSi, IrSi, , PdSi, PtSi, , and OsSi etc. Plenty of band systems have been recorded while the theoretical calculations are far from complete to interpret the available spectra.…”

Section: Introductionmentioning

confidence: 99%

“…For theorists, such comparisons are good benchmarks to check the newly developed methods as indicated by many of publications on Cr 2 . 1−8 There are enormous experimental works on diatomic metal silicides, such as FeSi, 9 CoSi, 9 NiSi, 9,10 RuSi, 11 IrSi, 12,13 PdSi, 14 PtSi, 15,16 and OsSi 17 etc. Plenty of band systems have been recorded while the theoretical calculations are far from complete to interpret the available spectra.…”

Section: Introductionmentioning

confidence: 99%

Electronic Structure of OsSi Calculated by MS-NEVPT2 with Inclusion of the Relativistic Effects

et al. 2018

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The electronic states of OsSi are calculated by multi-state N-electron valence state second order perturbation theory (MS-NEVPT2) with all-electron basis sets. The relativistic effects are considered comprehensively that allows us to identify the XΣ ground state. The theoretical equilibrium bond length 2.103 Å is close to the experimental measurement of 2.1207 Å while the vibrational frequency 466 cm is smaller than the experimental value of 516 cm. Two excited states, namely Π(I) and Π(II), are located at 15568 and 18316 cm above the ground state, respectively. The Π(I) ← XΣ transition has been assigned to the experimental spectra at 15729 cm and Π(II) ← XΣ may produce the bands near 18469 cm. Although the latter transition energy is in accord with the experimental spectra, theoretical calculations give too small oscillator strength. Moreover, plenty of excited states with considerable oscillator strengths are located that could serve as reference data in future experiments. The four low-lying states of OsC are also calculated for comparison.

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