Stabilities, Electronic Structures, and Bonding Properties of Iron Complexes (E
            1
            E
            2
            )Fe(CO)
            2
            (CNAr
            Tripp2
            )
            2
            (E
            1
            E
            2
            =BF, CO, N
            2
            , CN
            −
            , or NO
            +
            )**

Gerui Pei; Pei Zhao; Song Xu; Xintian Zhao; Chuncai Kong; Zhimao Yang; Masahiro Ehara; Tao Yang

doi:10.1002/open.202000248

Stabilities, Electronic Structures, and Bonding Properties of Iron Complexes (E 1 E 2 )Fe(CO) 2 (CNAr Tripp2 ) 2 (E 1 E 2 =BF, CO, N 2 , CN − , or NO + )**

ChemistryOpen ◽

10.1002/open.202000248 ◽

2020 ◽

Vol 9 (11) ◽

pp. 1195-1201

Author(s):

Gerui Pei ◽

Pei Zhao ◽

Song Xu ◽

Xintian Zhao ◽

Chuncai Kong ◽

...

Keyword(s):

Electronic Structures ◽

Iron Complexes ◽

Bonding Properties

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Stabilities, Electronic Structures, and Bonding Properties of 20-Electron Transition Metal Complexes (Cp)2TMO and their One-Dimensional Sandwich Molecular Wires (Cp = C5H5, C5(CH3)H4, C5(CH3)5; TM = Cr, Mo, W)

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.0c07402 ◽

2021 ◽

Vol 125 (3) ◽

pp. 721-730

Author(s):

Song Xu ◽

Mengyang Li ◽

Gerui Pei ◽

Pei Zhao ◽

Xintian Zhao ◽

...

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Electronic Structures ◽

Electron Transition ◽

Molecular Wires ◽

One Dimensional ◽

Bonding Properties

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Electronic structures and bonding properties of MSi12- anions (M = V, Nb, and Ta)

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113480 ◽

2021 ◽

pp. 113480

Author(s):

Guo-Jin Cao

Keyword(s):

Electronic Structures ◽

Bonding Properties

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AMoO4 (A = Mg, Ni) molybdates: Phase stabilities, electronic structures and chemical bonding properties from first principles

Solid State Sciences ◽

10.1016/j.solidstatesciences.2010.07.030 ◽

2010 ◽

Vol 12 (10) ◽

pp. 1779-1785 ◽

Cited By ~ 28

Author(s):

S.F. Matar ◽

A. Largeteau ◽

G. Demazeau

Keyword(s):

Chemical Bonding ◽

First Principles ◽

Electronic Structures ◽

Bonding Properties

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Electronic structures, bonding properties and photoelectron spectra of (μ2-diphosphorous)- and μ2-1-alkyl-2-phosphacetylene)hexacarbonyl- dicobalt (Co-Co)

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(90)80091-2 ◽

1990 ◽

Vol 209 (3-4) ◽

pp. 399-410 ◽

Cited By ~ 2

Author(s):

M.I. Bán ◽

G. Dömötör ◽

A. Vizi-Orosz ◽

G. Pályi

Keyword(s):

Electronic Structures ◽

Photoelectron Spectra ◽

Bonding Properties

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Molecular and Electronic Structures of Mononuclear Iron Complexes Using Strongly Electron-Donating Ligands and their Oxidized Forms

Inorganic Chemistry ◽

10.1021/ic800335t ◽

2008 ◽

Vol 47 (15) ◽

pp. 6804-6824 ◽

Cited By ~ 47

Author(s):

Julia B. H. Strautmann ◽

Serena DeBeer George ◽

Eberhard Bothe ◽

Eckhard Bill ◽

Thomas Weyhermüller ◽

...

Keyword(s):

Electronic Structures ◽

Iron Complexes ◽

Mononuclear Iron

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Molecular and electronic structures of new iron complexes containing N,S-coordinated o-iminothionebenzosemiquinonate(1-) π radical ligands: An experimental and density functional theoretical study

Inorganica Chimica Acta ◽

10.1016/j.ica.2011.02.036 ◽

2011 ◽

Vol 374 (1) ◽

pp. 226-239 ◽

Cited By ~ 11

Author(s):

Shaun Richard Presow ◽

Meenakshi Ghosh ◽

Eckhard Bill ◽

Thomas Weyhermüller ◽

Karl Wieghardt

Keyword(s):

Electronic Structures ◽

Density Functional ◽

Theoretical Study ◽

Iron Complexes

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The Hei and HeH Photoelectron Spectra of [Fe*?3-C3H5(CO)3X] and [Fe^3-C4H7 (CO)3X] (X = Cl, Br, I) and [CoC3H5(CO)3]

Zeitschrift für Naturforschung B ◽

10.1515/znb-1982-0211 ◽

1982 ◽

Vol 37 (2) ◽

pp. 179-185 ◽

Cited By ~ 7

Author(s):

Jaap N. Louwen ◽

Jaap Hart ◽

Derk J. Stufkens ◽

Ad Oskam

Keyword(s):

Photoelectron Spectroscopy ◽

Electronic Structures ◽

Lone Pair ◽

Iron Complexes ◽

Photoelectron Spectra ◽

Pair Type ◽

Ionization Energies ◽

Uv Photoelectron Spectroscopy

Abstract By means of UV photoelectron spectroscopy (UPS) the electronic structures of [Feη3.C3H5(CO)3X], [Feη3-(2-CH3C3H4)(CO)3X] (X = Cl, Br, I) and [Co(C3H5)(CO)3] have been studied. Detailed assignments are possible and surprisingly low ionization energies (as low as 8.19 eV) are found for iodine lone pair type Orbitals. From the spectra a large difference in π backbonding is found between the cobalt and iron complexes

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A theoretical study on the electronic structures and equilibrium constants evaluation of Deferasirox iron complexes

Computational Biology and Chemistry ◽

10.1016/j.compbiolchem.2016.05.010 ◽

2016 ◽

Vol 64 ◽

pp. 99-106 ◽

Cited By ~ 5

Author(s):

Samie Salehi ◽

Amir Shokooh Saljooghi ◽

Mohammad Izadyar

Keyword(s):

Electronic Structures ◽

Theoretical Study ◽

Equilibrium Constants ◽

Iron Complexes

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Unraveling the Electronic Structures of Low-Valent Naphthalene and Anthracene Iron Complexes: X-ray, Spectroscopic, and Density Functional Theory Studies

Inorganic Chemistry ◽

10.1021/ic300366m ◽

2012 ◽

Vol 51 (12) ◽

pp. 6719-6730 ◽

Cited By ~ 26

Author(s):

Eva-Maria Schnöckelborg ◽

Marat M. Khusniyarov ◽

Bas de Bruin ◽

František Hartl ◽

Thorsten Langer ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structures ◽

Density Functional ◽

Iron Complexes ◽

Functional Theory ◽

X Ray ◽

Low Valent

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Electronic structures, bonding, and spin state energetics of biomimetic mononuclear and bridged dinuclear iron complexes: a computational examination

Structural Chemistry ◽

10.1007/s11224-020-01690-x ◽

2021 ◽

Author(s):

Monika ◽

Oval Yadav ◽

Hemlata Chauhan ◽

Azaj Ansari

Keyword(s):

Spin State ◽

Electronic Structures ◽

Iron Complexes ◽

Dinuclear Iron

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