Theoretical Photoelectron Spectroscopy of Quadruple-Bonded Dimolybdenum(II,II) and Ditungsten(II,II) Paddlewheel Complexes: Performance of Common Density Functional Theory Methods

Theoretical Photoelectron Spectroscopy of Quadruple-Bonded Dimolybdenum(II,II) and Ditungsten(II,II) Paddlewheel Complexes: Performance of Common Density Functional Theory Methods

Bibliographic Details
Main Authors:	Abhik Ghosh, Jeanet Conradie
Format:	Article
Language:	English
Published:	American Chemical Society 2024-03-01
Series:	ACS Omega
Online Access:	https://doi.org/10.1021/acsomega.4c00269

Similar Items

Theoretical Photoelectron Spectroscopy of Metal–Metal Quintuple Bonds: Relativity-Driven Reordering of Frontier Orbitals
by: Abhik Ghosh, et al.
Published: (2024-03-01)

Rethinking gold(II) porphyrins: an inherent wave distortion
by: Ghosh, Abhik, et al.
Published: (2024-01-01)

Crystal structure of a methyl benzoate quadruple-bonded dimolybdenum complex
by: Lillian Dawson Bass, et al.
Published: (2023-03-01)

The Role of Quadruple Bonding in the Electron Transport through a Dimolybdenum Tetraacetate Molecule
by: Dmitry O. Arentov, et al.
Published: (2022-10-01)

Cytotoxicity Evaluation of Unmodified Paddlewheel Dirhodium(II,II)-Acetate/-Formamidinate Complexes and Their Axially Modified Low-Valent Metallodendrimers
by: Stephen de Doncker, et al.
Published: (2023-03-01)

Experimental and theoretically calculated structural data of different iron(II)-terpyridine complexes – validation of theoretical method
by: Evangelia Athanasopoulos, et al.
Published: (2024-06-01)

Structure and Magnetic Properties of a 1D Alternating Cu(II) Monomer―Paddlewheel Chain
by: Vanessa Machado, et al.
Published: (2018-02-01)

Paddlewheel dirhodium(II) complexes with N-heterocyclic carbene or phosphine ligand: New reactivity and selectivity
by: Biqiong Hong, et al.
Published: (2022-05-01)

Comparing Isoelectronic, Quadruple-Bonded Metalloporphyrin and Metallocorrole Dimers: Scalar-Relativistic DFT Calculations Predict a >1 eV Range for Ionization Potential and Electron Affinity
by: Jeanet Conradie, et al.
Published: (2021-10-01)

Poly[[diaquadeca-μ-cyanido-hexacyanidobis(4-cyanopyridine)di-μ-pyrimidine-tricopper(II)ditungsten(V)] dihydrate]
by: Souhei Kaneko, et al.
Published: (2008-11-01)

Bis(acetylacetonato)copper(II) – structural and electronic data of the neutral, oxidized and reduced forms
by: Jeanet Conradie
Published: (2019-10-01)

Bis{decacarbonylbis[mu-2,2 `-(phenylimino)diethanolato]ditin(II)ditungsten(0)(2 Sn-W)} hexacarbonyltungsten(0)
by: Berends, T., et al.
Published: (2010)

Ring-opening polymerization of cyclic esters by 3- and 4-pyridinyl Schiff base Zn(II) and Cu(II) paddlewheel complexes: kinetic, mechanistic and tacticity studies
by: Damilola C. Akintayo, et al.
Published: (2021-10-01)

Electrochemical data of Co(II) complexes containing phenanthroline functionalized ligands
by: Hendrik Ferreira, et al.
Published: (2018-12-01)

Cobalt complexes with multi-dentate N-donor ligands: Redox, X-ray photoelectron spectroscopic and theoretical study
by: Jeanet Conradie, et al.
Published: (2023-01-01)

Synthesis, Electrochemistry and Density Functional Theory of Osmium(II) Containing Different 2,2′:6′,2″-Terpyridines
by: Nandisiwe G. S. Mateyise, et al.
Published: (2024-10-01)

Structural and electronic data of three first-row transition octahedral hexaaquametal(II) ions, metal=Cr, Ni or Cu
by: Jeanet Conradie
Published: (2018-12-01)

Synthesis, Characterization, Absorption Properties, and Electronic Structures of Paddlewheel-Type Dirhodium(II) Tetra-μ-(<i>n</i>-naphthoate) Complexes: An Experimental and Theoretical Study
by: Yusuke Kataoka, et al.
Published: (2019-01-01)

HE(II) PHOTOELECTRON-SPECTRA OF THE GROUP-IVB TETRACHLORIDES
by: Egdell, R, et al.
Published: (1979)

Electrochemical data of polypyridine complexes of Ru(II)
by: Deidré van der Westhuizen, et al.
Published: (2019-12-01)

Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones
by: Emmie Chiyindiko, et al.
Published: (2022-09-01)

Polypyridine OsII complexes electrochemical data
by: Deidré van der Westhuizen, et al.
Published: (2020-12-01)

Redox Data of <i>Tris</i>(polypyridine)manganese(II) Complexes
by: Zinhle Mtshali, et al.
Published: (2022-09-01)

HE-I AND HE-II PHOTOELECTRON SPECTRAL STUDIES OF ALKYLURANOCENES
by: Green, J, et al.
Published: (1983)

HE(I) AND HE(II) PHOTOELECTRON-SPECTRA OF METHYLTIN CHLORIDES
by: Fragala, I, et al.
Published: (1980)

HE-I AND HE-II PHOTOELECTRON SPECTROSCOPIC STUDIES OF THE BONDING IN COBALT, RHODIUM, AND IRIDIUM CYCLOPENTADIENYL DIENE COMPLEXES
by: Green, J, et al.
Published: (1984)

INVESTIGATION OF ELECTRONIC-STRUCTURE OF BIS(NORMAL-CYCLO-OCTATETRAENE)-ACTINOIDS BY HELIUM-(I) AND HELIUM-(II) PHOTOELECTRON-SPECTROSCOPY
by: Clark, J, et al.
Published: (1977)

DFT data to relate calculated LUMO energy with experimental reduction potentials of Cu(II)-β-diketonato complexes
by: Marrigje M. Conradie, et al.
Published: (2021-10-01)

A study of the molecular and electronic structure of iron(II) and ruthenium(II) 1,3-di- and 1,2,4-tri-phospholyl sandwich compounds by photoelectron spectroscopy and density functional theory
by: Bartsch, R, et al.
Published: (2001)

HE(II) PHOTOELECTRON-SPECTRA OF INDIUM(I) AND THALLIUM(I) HALIDES
by: Egdell, R, et al.
Published: (1978)

Energetics of Saddling versus Ruffling in Metalloporphyrins: Unusual Ruffled Dodecasubstituted Porphyrins
by: Jeanet Conradie, et al.
Published: (2017-10-01)

LiquidJet PES: Soft X-ray Photoelectron Spectroscopy from Aqueous Solution end-station at BESSY II
by: Bernd Winter
Published: (2017-12-01)

Synthesis, Spectroscopy, Theoretical, and Electrochemical Studies of Zn(II), Cd(II), and Hg(II) Azide and Thiocyanate Complexes of a New Symmetric Schiff-Base Ligand
by: Morteza Montazerozohori, et al.
Published: (2013-01-01)

Chalcogen Bond Involving Zinc(II)/Cadmium(II) Carbonate and Its Enhancement by Spodium Bond
by: Na Liu, et al.
Published: (2021-10-01)

Bonding in bis(pentalene)dimolybdenum: Density functional calculations on Mo-2(C8H6)(2) and photoelectron spectroscopy of Mo-2(C8H4(1,4-SiPr3i)(2))(2)
by: Cloke, F, et al.
Published: (1999)

Analytical applications of spectroscopy II/
by: Davies, A. M. E., et al.
Published: (1991)

Hydrogen-Bonded Networks Based on Cobalt(II), Nickel(II), and Zinc(II) Complexes of N,N'-Diethylurea
by: Labrini Drakopoulou, et al.
Published: (2010-01-01)

Theoretical inorganic chemistry II /
by: Bernauer, K.
Published: (1976)

HE-I AND HE-II PHOTOELECTRON STUDIES OF BIS(CYCLOPENTADIENYL)VANADIUM(III) COMPLEXES
by: Green, J, et al.
Published: (1983)

Theoretical Study and Biological Activity of Co(II), Ni(II), Cu(II),Pd(II),Pt(IV) and Cd(II) Complexes with2-Thioxoimidazolidin-4-one Derivative
by: Sallal A. H. Abdullah
Published: (2018-04-01)