Electronic structure of bis(dimethylmethylenephosphoranyl)dihydroborato(1-) main-group and transition-metal complexes. A case study involving theoretical pseudopotential ab initio calculations and UV photoelectron spectroscopy

Giovanni Bruno; Santo Di Bella; Ignazio Fragala; Gerhard Mueller; Enrico Ciliberto

doi:10.1021/om00119a040

Electronic structure of bis(dimethylmethylenephosphoranyl)dihydroborato(1-) main-group and transition-metal complexes. A case study involving theoretical pseudopotential ab initio calculations and UV photoelectron spectroscopy

Organometallics ◽

10.1021/om00119a040 ◽

1990 ◽

Vol 9 (5) ◽

pp. 1629-1643 ◽

Cited By ~ 1

Author(s):

Giovanni Bruno ◽

Santo Di Bella ◽

Ignazio Fragala ◽

Gerhard Mueller ◽

Enrico Ciliberto

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Ab Initio Calculations ◽

Metal Complexes ◽

Ab Initio ◽

Transition Metal Complexes ◽

Photoelectron Spectroscopy ◽

Main Group ◽

Uv Photoelectron Spectroscopy

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Electronic structure of transition-metal tetracoordinated complexes. 4. Theoretical ab initio and UV-photoelectron spectroscopy study of nickel(II) and palladium(II) complexes of N,N′-1,3-propaneaminebis(1H-pyrrol-2-ylmethylene) Schiff base

Inorganica Chimica Acta ◽

10.1016/s0020-1693(00)85980-0 ◽

1990 ◽

Vol 177 (2) ◽

pp. 225-231 ◽

Cited By ~ 2

Author(s):

Enrico Ciliberto ◽

Santo Di Bella ◽

Antonino Gulino ◽

Ignazio L. Fragalà

Keyword(s):

Electronic Structure ◽

Schiff Base ◽

Transition Metal ◽

Ab Initio ◽

Photoelectron Spectroscopy ◽

Spectroscopy Study ◽

Uv Photoelectron Spectroscopy

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Electronic structure of tetracoordinate transition-metal complexes. 5. Comparative theoretical ab initio/Hartree-Fock-Slater and ultraviolet-photoelectron spectroscopic studies of building blocks for low-dimensional conductors. Dibenzo[b,i][1,4,8,11]tetraazacyclotetradecine complexes of nickel(II) and palladium(II)

Inorganic Chemistry ◽

10.1021/ic00039a031 ◽

1992 ◽

Vol 31 (13) ◽

pp. 2835-2842 ◽

Cited By ~ 8

Author(s):

Maurizio Casarin ◽

Enrico Ciliberto ◽

Santo Di Bella ◽

Antonino Gulino ◽

Ignazio Fragala ◽

...

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Metal Complexes ◽

Ab Initio ◽

Transition Metal Complexes ◽

Building Blocks ◽

Spectroscopic Studies ◽

Hartree Fock ◽

Low Dimensional

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Ab Initio Calculations of the Electronic Properties of Polypyridine Transition Metal Complexes and Their Adsorption on Metal Surfaces in the Presence of Solvent and Counterions

The Journal of Physical Chemistry B ◽

10.1021/jp200893w ◽

2011 ◽

Vol 115 (30) ◽

pp. 9410-9416 ◽

Cited By ~ 9

Author(s):

E. Ö. Jónsson ◽

K. S. Thygesen ◽

J. Ulstrup ◽

K. W. Jacobsen

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Metal Complexes ◽

Ab Initio ◽

Electronic Properties ◽

Transition Metal Complexes ◽

Metal Surfaces

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Electronic structure of transition-metal tetracoordinated complexes. 1. Theoretical ab initio and UV-photoelectron spectroscopy study of palladium(II) and platinum(II) square-planar acetylacetonate complexes

Inorganic Chemistry ◽

10.1021/ic00242a035 ◽

1986 ◽

Vol 25 (22) ◽

pp. 3997-4003 ◽

Cited By ~ 18

Author(s):

Santo Di Bella ◽

Ignazio Fragala ◽

Gaetano Granozzi

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Ab Initio ◽

Photoelectron Spectroscopy ◽

Spectroscopy Study ◽

Square Planar ◽

Uv Photoelectron Spectroscopy

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Ab initio calculations on the [Rh(PH3)3Cl] system. Influence of the basis set on the structural and reactivity trends of transition-metal complexes

Journal of the Chemical Society Faraday Transactions ◽

10.1039/ft9928801111 ◽

1992 ◽

Vol 88 (8) ◽

pp. 1111-1117 ◽

Cited By ~ 5

Author(s):

Feliu Maseras ◽

Agustí Liedós ◽

Miquel Duran ◽

Juan Bertrán

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Metal Complexes ◽

Ab Initio ◽

Transition Metal Complexes ◽

Basis Set

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High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report

Current Opinion in Chemical Biology ◽

10.1016/s1367-5931(02)00023-6 ◽

2003 ◽

Vol 7 (1) ◽

pp. 113-124 ◽

Cited By ~ 128

Author(s):

Abhik Ghosh ◽

Peter R Taylor

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Metal Complexes ◽

Ab Initio ◽

Transition Metal Complexes ◽

Progress Report ◽

Spin States ◽

Biologically Relevant ◽

High Level

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ChemInform Abstract: Electronic Structure of Tetracoordinate Transition-Metal Complexes. Part 2. Comparative Theoretical ab initio/Hartree-Fock-Slater and UV-Photoelectron Spectroscopic Studies of Building Blocks for Low-Dimensional Conductors: Glyoximate

ChemInform ◽

10.1002/chin.198908059 ◽

1989 ◽

Vol 20 (8) ◽

Author(s):

S. DI BELLA ◽

M. CASARIN ◽

I. FRAGALA ◽

G. GRANOZZI ◽

T. J. MARKS

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Metal Complexes ◽

Ab Initio ◽

Transition Metal Complexes ◽

Building Blocks ◽

Spectroscopic Studies ◽

Hartree Fock ◽

Low Dimensional

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AB Initio Calculations of Electronic Surface States of Transition Metal Oxides and of the Superexchange Coupling in Oxo-bridged Transition Metal Complexes

Metal-Ligand Interactions ◽

10.1007/978-94-009-0155-1_17 ◽

1996 ◽

pp. 473-491 ◽

Cited By ~ 3

Author(s):

V. Staemmler

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Metal Complexes ◽

Metal Oxides ◽

Ab Initio ◽

Transition Metal Complexes ◽

Transition Metal Oxides ◽

Surface States ◽

Superexchange Coupling ◽

Electronic Surface

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Zero-Field Splitting in Transition Metal Complexes: Ab Initio Calculations, Effective Hamiltonians, Model Hamiltonians, and Crystal-Field Models

Handbook of Relativistic Quantum Chemistry ◽

10.1007/978-3-642-40766-6_37 ◽

2016 ◽

pp. 765-796

Author(s):

Rémi Maurice ◽

Ria Broer ◽

Nathalie Guihéry ◽

Coen de Graaf

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Metal Complexes ◽

Ab Initio ◽

Crystal Field ◽

Transition Metal Complexes ◽

Zero Field ◽

Zero Field Splitting ◽

Field Splitting ◽

Effective Hamiltonians

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ChemInform Abstract: Electronic Structure of Transition-Metal Tetracoordinated Complexes. Part 1. Theoretical ab initio and UV-Photoelectron Spectroscopy Study of Palladium(II) and Platinum(II) Square-Planar Acetylacetonate Complexes.

ChemInform ◽

10.1002/chin.198710076 ◽

1987 ◽

Vol 18 (10) ◽

Author(s):

S. DI BELLA ◽

I. FRAGALA ◽

G. GRANOZZI

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Ab Initio ◽

Photoelectron Spectroscopy ◽

Spectroscopy Study ◽

Square Planar ◽

Uv Photoelectron Spectroscopy

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