A DFT based investigation into the electronic structure and properties of hydride rich rhodium clusters.

A DFT based investigation into the electronic structure and properties of hydride rich rhodium clusters.

Density functional theory has been used to investigate the structures, bonding and properties of a family of hydride rich late transition metal clusters of the type [Rh(6)(PH(3))(6)H(12)](x) (x = 0, +1, +2, +3 or +4), [Rh(6)(PH(3))(6)H(16)](x) (x = +1 or +2) and [Rh(6)(PH(3))(6)H(14)](x) (x = 0, +1...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Κύριοι συγγραφείς:	Brayshaw, S, Green, J, Hazari, N, Weller, A
Μορφή:	Journal article
Γλώσσα:	English
Έκδοση:	2007

Παρόμοια τεκμήρια

High hydride count rhodium octahedra: Towards electrochemically switchable hydrogen storage devices
ανά: Weller, A, κ.ά.
Έκδοση: (2006)

Holding onto lots of hydrogen: a 12-hydride rhodium cluster that reversibly adds two molecules of H2.
ανά: Brayshaw, S, κ.ά.
Έκδοση: (2005)

C-C sigma complexes of rhodium.
ανά: Brayshaw, S, κ.ά.
Έκδοση: (2007)

High hydride count rhodium octahedra, [Rh6(PR3)6H12][BArF4]2: synthesis, structures, and reversible hydrogen uptake under mild conditions.
ανά: Brayshaw, S, κ.ά.
Έκδοση: (2006)

Sequential reduction of high hydride count octahedral rhodium clusters [Rh6(PR3)6H12][BArF4]2: redox-switchable hydrogen storage.
ανά: Brayshaw, S, κ.ά.
Έκδοση: (2007)

Formation and electronic properties of palladium hydrides and palladium-rhodium dihydride alloys under pressure
ανά: Xiao Yang, κ.ά.
Έκδοση: (2017-06-01)

Rhodium(III) complexes that contain Rh...C-C and Rh...C-H agostic bonds
ανά: Brayshaw, S, κ.ά.
Έκδοση: (2006)

Structural And Magnetic Properties Of Rhodium Clusters
ανά: Soon,, Yee Yeen
Έκδοση: (2017)

Enantioselective rhodium-catalysed insertion of trifluorodiazoethanes into tin hydrides
ανά: Hyde, S, κ.ά.
Έκδοση: (2018)

Experimental charge density study into C-C σ-interactions in a Binor-S rhodium complex.
ανά: Sparkes, H, κ.ά.
Έκδοση: (2011)

A rhodium complex with one Rh...C-C and one Rh...H-C agostic bond.
ανά: Brayshaw, S, κ.ά.
Έκδοση: (2006)

Aqueous-organic biphasic redox-chemistry of high-hydride content rhodium clusters: Towards immobilisation of redox-switchable H-2 binding materials on a surface
ανά: Hiney, R, κ.ά.
Έκδοση: (2009)

Phosphine-olefin ligands: a facile dehydrogenative route to catalytically active rhodium complexes.
ανά: Douglas, T, κ.ά.
Έκδοση: (2006)

Rhodium-containing oxide-hydrides: covalently stabilized mixed-anion solids
ανά: Jin, L, κ.ά.
Έκδοση: (2019)

Tetrameric iridium hydride-rich clusters formed under hydrogenation conditions.
ανά: Xu, Y, κ.ά.
Έκδοση: (2009)

Reversible addition of water to the high-hydride-content cluster [Rh6(PiPr3)6H12][BArF4]2. Synthesis and Structure of [Rh6PiPr3)6H11(OH)][BArF4]2.
ανά: Douglas, T, κ.ά.
Έκδοση: (2008)

Cationic rhodium mono-phosphine fragments partnered with carborane monoanions [closo-CB11H6X6]- (X = H, Br). Synthesis, structures and reactivity with alkenes.
ανά: Molinos, E, κ.ά.
Έκδοση: (2007)

Intramolecular alkyl phosphine dehydrogenation in cationic rhodium complexes of tris(cyclopentylphosphine).
ανά: Douglas, T, κ.ά.
Έκδοση: (2008)

The electronic structure of transition-metal hydrides by nuclear magnetic resonance
ανά: Green, J
Έκδοση: (2017)

Rhodium phosphine olefin complexes of the weakly coordinating anions [BAr4F](-) and [1-closo-CB11H6Br6](-). Kinetic versus thermodynamic factors in anion coordination and complex reactivity
ανά: Douglas, T, κ.ά.
Έκδοση: (2007)

A DFT study of the role of water in the rhodium-catalyzed hydrogenation of acetone
ανά: Polo, Victor, κ.ά.
Έκδοση: (2018)

Dihydrogen complexes of rhodium: [RhH2(H2)x (PR3)2]+ (R = Cy, iPr; x = 1, 2).
ανά: Ingleson, M, κ.ά.
Έκδοση: (2005)

ELECTRONIC-STRUCTURE AND PHOTOELECTRON-SPECTROSCOPY OF D(8) RHODIUM INDENYL COMPLEXES
ανά: Frankcom, T, κ.ά.
Έκδοση: (1993)

Oxides of small Rhodium clusters: Theoretical investigation of experimental reactivities.
ανά: Harding, D, κ.ά.
Έκδοση: (2008)

Oxides of small Rhodium clusters: Theoretical investigation of experimental reactivities
ανά: Harding, D, κ.ά.
Έκδοση: (2008)

ELECTRONIC-STRUCTURE AND REACTIVITY OF PENTAMETHYLCYCLOPENTADIENYL COMPLEXES OF COBALT, RHODIUM, AND IRIDIUM - HE-I AND HE-II PHOTOELECTRON SPECTROSCOPIC INVESTIGATION
ανά: Dudeney, N, κ.ά.
Έκδοση: (1984)

Synthesis, structures, and DFT bonding analysis of new titanium hydrazido(2-) complexes.
ανά: Parsons, T, κ.ά.
Έκδοση: (2005)

Dihydrogen loss from a 14-electron rhodium(III) bis-phosphine dihydride to give a rhodium(I) complex that undergoes oxidative addition with aryl chlorides
ανά: Douglas, T, κ.ά.
Έκδοση: (2008)

First Principles Study of Electronic Structure, Structural Properties and Superconductivity of Nickel Hydride
ανά: Shunmugam KANAGAPRABHA, κ.ά.
Έκδοση: (2012-02-01)

Coverage dependence of oxygen decomposition and surface diffusion on rhodium 111: a DFT study.
ανά: Inderwildi, O, κ.ά.
Έκδοση: (2005)

Coverage dependence of oxygen decomposition and surface diffusion on rhodium (111): A DFT study
ανά: Inderwildi, O, κ.ά.
Έκδοση: (2005)

Synthesis, Spectroscopy, Electrochemistry and DFT of Electron-Rich Ferrocenylsubphthalocyanines
ανά: Pieter J. Swarts, κ.ά.
Έκδοση: (2020-06-01)

A structural study of rhodium carbonyl chloride and rhodium carbonyl bromide
ανά: Wilt, John Robert, 1939-
Έκδοση: (2023)

Investigation of Plasmonic Properties of a Rhodium Nanoshell Based Optical Nanomaterial
ανά: Quan JIANG, κ.ά.
Έκδοση: (2022-07-01)

Investigation on the structural stability and electronic properties of InSb nanostructures – A DFT approach
ανά: V. Nagarajan, κ.ά.
Έκδοση: (2014-06-01)

DFT/TDDFT Investigation on the Electronic Structure and Spectroscopic Properties of Cis-Dioxomolybdenum (VI) Complexes
ανά: IMANE SEGHIR, κ.ά.
Έκδοση: (2019-09-01)

Rhodium-catalysed linear-selective alkyne hydroacylation.
ανά: Poingdestre, S, κ.ά.
Έκδοση: (2012)

Electronic properties of Zintl phase hydride for hydrogen storage
ανά: K. Khodja, κ.ά.
Έκδοση: (2014-06-01)

Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy.
ανά: Harding, D, κ.ά.
Έκδοση: (2010)

Theoretical Investigation of Interconversion Pathways and Intermediates in Hydride/Silyl Exchange of Niobocene Hydride–Silyl Complexes: A DFT Study Incorporating Conformational Search and Interaction Region Indicator (IRI) Analysis
ανά: Dapeng Zhang, κ.ά.
Έκδοση: (2024-10-01)