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RESEARCH PAPER · Chemistry - A European Journal · 2005

The Versatility of Pentalene Coordination to Transition Metals: A Density Functional Theory Investigation

Saïda Bendjaballah, Samia Kahlal, Karine Costuas, Émile Bévillon, Jean‐Yves Saillard

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The Versatility of Pentalene Coordination to Transition Metals: A Density Functional Theory InvestigationOriginalStabilization of Acepentalene by Coordination to Transition Metals: A DFT Investigation8Lanthanides and actinides: Annual survey of their organometallic chemistry covering the year 200633New Reactions of a Dibenzo[a,e]pentalene74Homoleptic Permethylpentalene Complexes: “Double Metallocenes” of the First-Row Transition Metals98Versatile Synthesis of Pentalene Derivatives via the Pd-Catalyzed Homocoupling of Haloenynes163Electronic structure and molecular properties of binuclear group VII pentalene metal carbonyl complexes [C8H6{M(CO3)}2] (M=Mn, Tc, Re, Bh): A relativistic density functional theory study11Large Metal Ions in a Relatively Small Fullerene Cage: The Structure of Gd3N@C2(22010)-C78 Departs from the Isolated Pentagon Rule114Rings and chains in solid-state metal borides and borocarbides. The electron count matters17Zirconocene complexes bearing novel 3-dimethylamino-1,2-dihydropentalene derived ligand systems5Electronic structure and vibrational frequencies in dehydroacetic acid (DHA) transition-metal complexes: A DFT study23The Coordination Chemistry of Azulene: A Comprehensive DFT Investigation45Synthesis and Electronic Structure of Tetrakis(η3-phenylpropargyl)zirconium9Electronic structure and metal–metal communication in (CpM)2(as-indacene) and (CpM)2(s-indacene) (M = Mn, Fe, Co, Ni) complexes: a DFT investigation7Mononuclear bis(pentalene) sandwich compounds of the first-row transition metals: variable hapticity of the pentalene rings and intramolecular coupling reactions8Haptotropic shifts in mononuclear complexes of substituted pentalenes: A DFT investigation of the [CpFe(C8H4R2)] (R = H, Me, NH2, CF3, CN ; q= −1, 0, +1) series6Binuclear Pentalene Iron Carbonyl Complexes8The occurrence and representation of three-centre two-electron bonds in covalent inorganic compounds293Electronic structure and coordination chemistry of phenanthridine ligand in first‐row transition metal complexes: A DFT study23On the structure and fluxionality of mononuclear complexes of naphthalene: A DFT investigation of (naphthalene)MCp (M = Sc, V, Mn, Fe, Ni) and related complexes13Bonding and electronic structure of Cp*2Ru2(B8H14), a metallaborane analogue of dinuclear pentalene complexes11Double-Sandwich Pentalene Complexes M2(pent†)2(M = Rh, Pd; pent†= 1,4-Bis(triisopropylsilyl)pentalene): Synthesis, Structure, and Bonding19Structural and spin diversity of M(indenyl)2 transition-metal complexes: a DFT investigation28Novel Triple-Decker Sandwich Complex with a Six-Membered [B3Co2(μ4-Te)] Ring as the Middle Deck24Can a linear metal–metal bonded array of tetravanadium be stabilized between two dicyclopenta[a,e]pentalene ligands? A theoretical investigation5New mono and bimetallic iron complexes derived from partially methylated s-indacene. Evidence of a trinuclear iron s-indacene complex11Diverse bonding modes of the pentalene ligand in binuclear cobalt carbonyl complexes3A DFT investigation of some (formally) redox isomerization reactions of bis(pentalenyl)iron and bis(azulenyl)iron3Novel mono- and heterobimetallic chromium−nickel s-indacene complexes: synthesis, characterization, and DFT studies11Coordination diversity of the phenazine ligand in binuclear transition metal sandwich complexes: Theoretical investigation30[(η 5 -C 5 Me 5 )Ru] + fragments ligated to polyaromatic hydrocarbons: an experimental and computational approach to pathways for haptotropic migration10Magnetic and Quantum Transport Properties of Small-Sized Transition-Metal-Pentalene Sandwich Cluster7An electron-poor di-molybdenum triple-decker with a puckered [B 4 Ru 2 ] bridging ring is an oblato-closo cluster24In search for new bonding modes of the methylenedithiolato ligand: novel tri- and tetra-metallic clusters13Electronic structure and bonding analysis of transition metal sandwich and half-sandwich complexes of the triphenylene ligand23Bonding in Complexes of Bis(pentalene)dititanium, Ti2(C8H6)219Synthesis, Structure, and Bonding for Bis(permethylpentalene)diiron8Coordination chemistry of mixed M(benzene)(cyclopendadienyl) sandwich complexes: electronic properties and bonding analysis23Endohedrally stabilized C 70 isomer with fused pentagons characterized by crystallography23Hypo-electronic triple-decker sandwich complexes: synthesis and structural characterization of [(Cp*Mo) 2 {μ–η 6 :η 6 -B 4 H 4 E-Ru(CO) 3 }] (E = S, Se, Te or Ru(CO) 3 and Cp* = η 5 -C 5 Me 5 )20The Covalent Bond Classification Method and Its Application to Compounds That Feature 3-Center 2-Electron Bonds20Complexes of iron(II) with silylated pentalene ligands; building blocks for homo- and heterobimetallics3Transition Metal Complexes of Cross‐Conjugated π Systems0Ten‐Electron Donor Indenyl Anion in Binuclear Transition‐Metal Sandwich Complexes: Electronic Structure and Bonding Analysis12Zirconium and Hafnium Permethylpentalene Compounds16Coordination capabilities of anthracene ligand in binuclear sandwich complexes: DFT investigation19Bonding in pentalene complexes and their recent applications51Coordination chemistry and bonding analysis of tetranuclear transition metal pyrene sandwich complexes14Ligands’ σ-donation and π-backdonation effects on metal-metal bonding in trinuclear [M3(Tr)2(L)3]2+ (M = Fe, Ni, Pd, Pt, Tr = tropylium and L = CO, HCN and C2H4) sandwich compounds: Theoretical investigation14Electronic structure and structural diversity in indenyl in heterobinuclear transition-metal half-sandwich complexes12Synthesis, characterisation and redox properties of anti-bimetallic permethylpentalene complexes2Cyclic and Non-Cyclic Pi Complexes of Vanadium1Understanding the chemical bonding in sandwich complexes of transition metals coordinated to nine-membered rings: energy decomposition analysis and the donor–acceptor charge transfers16Cyclic and Non-Cyclic Pi Complexes of Manganese0Synthesis, Structure, and Reactivity of Magnesium Pentalenides7Twinned versus linked organometallics - bimetallic “half-baguette” pentalenide complexes of Rh( i )3A Persistent Ni(0)–Pentalene Complex with High Fluxionality: Does Stronger Antiaromaticity Promote Metal–Ligand Interactions?0

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  1. Stabilization of Acepentalene by Coordination to Transition Metals: A DFT Investigation

    Inorganic Chemistry · 2007-03-09

    Andrés I. Vega, Jean‐Yves Saillard

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  2. Lanthanides and actinides: Annual survey of their organometallic chemistry covering the year 2006

    Coordination Chemistry Reviews · 2008-03-15

    Frank Thomas Edelmann

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  3. New Reactions of a Dibenzo[a,e]pentalene

    Chemistry - A European Journal · 2008-06-09

    Masaichi Saito, Michio Nakamura, Tomoyuki Tajima

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  4. Homoleptic Permethylpentalene Complexes: “Double Metallocenes” of the First-Row Transition Metals

    Journal of the American Chemical Society · 2008-10-22

    Andrew E. Ashley, Robert T. Cooper, Gregory G. Wildgoose, Jennifer C. Green, Dermot M. O'Hare

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  5. Versatile Synthesis of Pentalene Derivatives via the Pd-Catalyzed Homocoupling of Haloenynes

    Journal of the American Chemical Society · 2009-02-06

    Zerubba U. Levi, T. Don Tilley

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  6. Electronic structure and molecular properties of binuclear group VII pentalene metal carbonyl complexes [C8H6{M(CO3)}2] (M=Mn, Tc, Re, Bh): A relativistic density functional theory study

    Polyhedron · 2009-03-26

    Alvaro Rafael Muñoz-Castro, Desmond MacLeod‐Carey, Ramiro Arratia‐Pérez

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  7. Large Metal Ions in a Relatively Small Fullerene Cage: The Structure of Gd3N@C2(22010)-C78 Departs from the Isolated Pentagon Rule

    Journal of the American Chemical Society · 2009-07-14

    Christine M. Beavers, Manuel N. Chaur, Marilyn M. Olmstead, Luis A. Echegoyen, Alan L. Balch

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  8. Rings and chains in solid-state metal borides and borocarbides. The electron count matters

    Journal of Organometallic Chemistry · 2009-12-04

    Souheila Lassoued, Régis Gautier, Ahmed Boutarfaı̈a, Jean‐François Halet

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  9. Zirconocene complexes bearing novel 3-dimethylamino-1,2-dihydropentalene derived ligand systems

    Dalton Transactions · 2010-01-01

    Bao‐Hua Xu, Gerald Kehr, Roland Fröhlich, Elisa Nauha, Gerhard Erker

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  10. Electronic structure and vibrational frequencies in dehydroacetic acid (DHA) transition-metal complexes: A DFT study

    Journal of Molecular Structure THEOCHEM · 2010-01-19

    Fairouz Zouchoune, Saber‐Mustapha Zendaoui, Naïma Bouchakri, Amel Djedouani, Bachir Zouchoune

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  11. The Coordination Chemistry of Azulene: A Comprehensive DFT Investigation

    Organometallics · 2010-03-05

    Hanane Korichi, Fairouz Zouchoune, Saber‐Mustapha Zendaoui, Bachir Zouchoune, Jean‐Yves Saillard

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  12. Synthesis and Electronic Structure of Tetrakis(η3-phenylpropargyl)zirconium

    Organometallics · 2010-09-08

    Dan R. Denomme, Seth M. Dumbris, I. F. Dempsey Hyatt, Khalil A. Abboud, Ion Ghiviriga, Lisa McElwee‐White

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  13. Electronic structure and metal–metal communication in (CpM)2(as-indacene) and (CpM)2(s-indacene) (M = Mn, Fe, Co, Ni) complexes: a DFT investigation

    New Journal of Chemistry · 2011-01-01

    M.T. Garland, Samia Kahlal, Desmond MacLeod‐Carey, Ramiro Arratia‐Pérez, Juan Manuel Manriquez, Jean‐Yves Saillard

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  14. Mononuclear bis(pentalene) sandwich compounds of the first-row transition metals: variable hapticity of the pentalene rings and intramolecular coupling reactions

    New Journal of Chemistry · 2011-01-01

    Huidong Li, Hao Feng, Weiguo Sun, Yaoming Xie, Robert Bruce King, Henry F. Schaefer

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  15. Haptotropic shifts in mononuclear complexes of substituted pentalenes: A DFT investigation of the [CpFe(C8H4R2)] (R = H, Me, NH2, CF3, CN ; q= −1, 0, +1) series

    Inorganica Chimica Acta · 2011-03-01

    Karima Deramchi, Boubekeur Maouche, Samia Kahlal, Jean‐Yves Saillard

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  16. Binuclear Pentalene Iron Carbonyl Complexes

    European Journal of Inorganic Chemistry · 2011-05-04

    Huidong Li, Hao Feng, Weiguo Sun, Yaoming Xie, Robert Bruce King, Henry F. Schaefer

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  17. The occurrence and representation of three-centre two-electron bonds in covalent inorganic compounds

    Chemical Communications · 2012-01-01

    Jennifer C. Green, Malcolm L. H. Green, Gerard Parkin

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  18. Electronic structure and coordination chemistry of phenanthridine ligand in first‐row transition metal complexes: A DFT study

    International Journal of Quantum Chemistry · 2012-03-19

    Akila Benmachiche, Saber‐Mustapha Zendaoui, Salah‐Eddine Bouaoud, Bachir Zouchoune

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  19. On the structure and fluxionality of mononuclear complexes of naphthalene: A DFT investigation of (naphthalene)MCp (M = Sc, V, Mn, Fe, Ni) and related complexes

    Inorganica Chimica Acta · 2012-05-28

    Karima Deramchi, Boubekeur Maouche, Lotfi Fadel, Samia Kahlal, Jean‐Yves Saillard

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  20. Bonding and electronic structure of Cp*2Ru2(B8H14), a metallaborane analogue of dinuclear pentalene complexes

    Journal of Organometallic Chemistry · 2012-09-12

    Benoît Boucher, Sundargopal Ghosh, Jean‐François Halet, Samia Kahlal, Jean‐Yves Saillard

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  21. Double-Sandwich Pentalene Complexes M2(pent†)2(M = Rh, Pd; pent†= 1,4-Bis(triisopropylsilyl)pentalene): Synthesis, Structure, and Bonding

    Organometallics · 2012-12-06

    Owen T. Summerscales, Christopher J. Rivers, Morgan Taylor, Peter B. Hitchcock, Jennifer C. Green, F. Geoffrey N. Cloke

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  22. Structural and spin diversity of M(indenyl)2 transition-metal complexes: a DFT investigation

    New Journal of Chemistry · 2013-01-01

    Faiza Chekkal, Saber‐Mustapha Zendaoui, Bachir Zouchoune, Jean‐Yves Saillard

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  23. Novel Triple-Decker Sandwich Complex with a Six-Membered [B3Co2(μ4-Te)] Ring as the Middle Deck

    Inorganic Chemistry · 2013-02-14

    Arunabha Thakur, Kiran Kumarvarma Chakrahari, Bijan Mondal, Sundargopal Ghosh

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  24. Can a linear metal–metal bonded array of tetravanadium be stabilized between two dicyclopenta[a,e]pentalene ligands? A theoretical investigation

    New Journal of Chemistry · 2013-11-22

    Yanchun Liu, Shui‐Xing Wu, Zhong‐Min Su, Houyu Zhang

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  25. New mono and bimetallic iron complexes derived from partially methylated s-indacene. Evidence of a trinuclear iron s-indacene complex

    Polyhedron · 2013-12-01

    Cesar A. Morales-Verdejo, Iván Martínez, Christopher Adams, Juan Felipe Araneda, Luciano Oehninger, Desmond MacLeod‐Carey, Alvaro Rafael Muñoz-Castro, Ramiro Arratia‐Pérez, I. Chávez, Juan Manuel Manriquez

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  26. Diverse bonding modes of the pentalene ligand in binuclear cobalt carbonyl complexes

    Inorganica Chimica Acta · 2014-03-06

    Xiaohong Chen, Quan Du, Rong Jin, Hongyan Wang, Ling Wang, Hao Feng, Yaoming Xie, Robert Bruce King

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  27. A DFT investigation of some (formally) redox isomerization reactions of bis(pentalenyl)iron and bis(azulenyl)iron

    Polyhedron · 2014-06-02

    Karima Deramchi, Boubekeur Maouche, Samia Kahlal, Jean‐Yves Saillard

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  28. Novel mono- and heterobimetallic chromium−nickel s-indacene complexes: synthesis, characterization, and DFT studies

    Canadian Journal of Chemistry · 2014-06-04

    Cesar A. Morales-Verdejo, Eduardo Schott, Ximena Zárate, Juan Manuel Manriquez

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  29. Coordination diversity of the phenazine ligand in binuclear transition metal sandwich complexes: Theoretical investigation

    Journal of Organometallic Chemistry · 2014-08-19

    Meriem Merzoug, Bachir Zouchoune

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  30. [(η 5 -C 5 Me 5 )Ru] + fragments ligated to polyaromatic hydrocarbons: an experimental and computational approach to pathways for haptotropic migration

    Dalton Transactions · 2014-10-22

    Matias Rioja, Paul Hamon, Thierry Roisnel, Sourisak Sinbandhit, Mauricio Fuentealba, Karina Letelier, Jean‐Yves Saillard, Andrés I. Vega, Jean‐René Hamon

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  31. Magnetic and Quantum Transport Properties of Small-Sized Transition-Metal-Pentalene Sandwich Cluster

    The Journal of Physical Chemistry C · 2014-12-11

    Zhi Mao Yang, Donghong Wang, Xuguang Liu, Li-Chun Xu, Shi‐Jie Xiong, Bingshe Xu

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  32. An electron-poor di-molybdenum triple-decker with a puckered [B 4 Ru 2 ] bridging ring is an oblato-closo cluster

    Chemical Communications · 2015-01-01

    Bijan Mondal, Bijnaneswar Mondal, Koushik Pal, Babu Varghese, Sundargopal Ghosh

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  33. In search for new bonding modes of the methylenedithiolato ligand: novel tri- and tetra-metallic clusters

    Dalton Transactions · 2015-01-01

    R. S. Anju, Koushik Saha, Bijan Mondal, Thierry Roisnel, Jean‐François Halet, Sundargopal Ghosh

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  34. Electronic structure and bonding analysis of transition metal sandwich and half-sandwich complexes of the triphenylene ligand

    Canadian Journal of Chemistry · 2015-04-24

    Amira Saiad, Bachir Zouchoune

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  35. Bonding in Complexes of Bis(pentalene)dititanium, Ti2(C8H6)2

    Organometallics · 2015-07-05

    Alexander F. R. Kilpatrick, Jennifer C. Green, F. Geoffrey N. Cloke

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  36. Synthesis, Structure, and Bonding for Bis(permethylpentalene)diiron

    Inorganic Chemistry · 2015-11-25

    Samantha C. Binding, Jennifer C. Green, William K. Myers, Dermot M. O'Hare

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  37. Coordination chemistry of mixed M(benzene)(cyclopendadienyl) sandwich complexes: electronic properties and bonding analysis

    New Journal of Chemistry · 2016-01-01

    Saber‐Mustapha Zendaoui, Bachir Zouchoune

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  38. Endohedrally stabilized C 70 isomer with fused pentagons characterized by crystallography

    Dalton Transactions · 2016-01-01

    Lai Feng, Meirong Zhang, Yajuan Hao, Qiangqiang Tang, Ning Chen, Zdeněk Slanina, Filip Uhlı́k

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  39. Hypo-electronic triple-decker sandwich complexes: synthesis and structural characterization of [(Cp*Mo) 2 {μ–η 6 :η 6 -B 4 H 4 E-Ru(CO) 3 }] (E = S, Se, Te or Ru(CO) 3 and Cp* = η 5 -C 5 Me 5 )

    Dalton Transactions · 2016-01-01

    Bijan Mondal, Moulika Bhattacharyya, Babu Varghese, Sundargopal Ghosh

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  40. The Covalent Bond Classification Method and Its Application to Compounds That Feature 3-Center 2-Electron Bonds

    Structure and bonding · 2016-01-01

    Malcolm L. H. Green, Gerard Parkin

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  41. Complexes of iron(II) with silylated pentalene ligands; building blocks for homo- and heterobimetallics

    Polyhedron · 2016-03-05

    Alexander F. R. Kilpatrick, David R. Johnston, Jennifer C. Green, Nikolaos Tsoureas, Martyn P. Coles, F. Geoffrey N. Cloke

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  42. Transition Metal Complexes of Cross‐Conjugated π Systems

    Unknown journal · 2016-04-08

    Holger Butenschön

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  43. Ten‐Electron Donor Indenyl Anion in Binuclear Transition‐Metal Sandwich Complexes: Electronic Structure and Bonding Analysis

    ChemistrySelect · 2016-04-16

    Saber‐Mustapha Zendaoui, Jean‐Yves Saillard, Bachir Zouchoune

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  44. Zirconium and Hafnium Permethylpentalene Compounds

    Organometallics · 2016-06-09

    F. Mark Chadwick, Robert T. Cooper, Dermot M. O'Hare

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  45. Coordination capabilities of anthracene ligand in binuclear sandwich complexes: DFT investigation

    Structural Chemistry · 2016-07-18

    Narimene Bensalem, Bachir Zouchoune

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  46. Bonding in pentalene complexes and their recent applications

    Coordination Chemistry Reviews · 2016-12-23

    F. Geoffrey N. Cloke, Jennifer C. Green, Alexander F. R. Kilpatrick, Dermot M. O'Hare

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  47. Coordination chemistry and bonding analysis of tetranuclear transition metal pyrene sandwich complexes

    Structural Chemistry · 2017-01-03

    Soumia Fadli, Bachir Zouchoune

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  48. Ligands’ σ-donation and π-backdonation effects on metal-metal bonding in trinuclear [M3(Tr)2(L)3]2+ (M = Fe, Ni, Pd, Pt, Tr = tropylium and L = CO, HCN and C2H4) sandwich compounds: Theoretical investigation

    Inorganica Chimica Acta · 2018-01-05

    Bachir Zouchoune, Amira Saiad

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  49. Electronic structure and structural diversity in indenyl in heterobinuclear transition-metal half-sandwich complexes

    Theoretical Chemistry Accounts · 2018-06-27

    Samia Drideh, Bachir Zouchoune, Saber‐Mustapha Zendaoui, Jean‐Yves Saillard

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  50. Synthesis, characterisation and redox properties of anti-bimetallic permethylpentalene complexes

    Dalton Transactions · 2019-01-01

    Samantha C. Binding, Jennifer C. Green, Zoë R. Turner, Jean‐Charles Buffet, Dermot M. O'Hare

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