Proyectos de Investigación

before 2011

before 2011

1.     A Theoretical-Experimental Approach to the Mechanism of the Photocarbonylation of Chromium(0) (Fischer)-Carbene Complexes and Their Reaction with Imines”. A. Arrieta, F. P. Cossío, I. Fernández, M. Gómez-Gallego, B. Lecea, M. J. Mancheño, M. A Sierra, J. Am. Chem. Soc. 2000, 122, 11509.

2.     “Synthesis of Cyclophanic Chromium(0) Bis(carbene) Complexes”. I. Fernández, M. A. Sierra, M. J. Mancheño, M. Gómez-Gallego, S. Ricart, Organometallics 2001, 20, 4304.

3.     “New Rearrangement and Fragmentation Processes of Alkoxyalkynyl (Fischer) Carbene Complexes Induced by Aromatic Diamines”. M. A. Sierra, M. J. Mancheño, J. C. del Amo, I. Fernández, M. Gómez-Gallego, M. R. Torres, Organometallics 2003, 22, 384.

4.     “Synthesis and Electrochemical Properties of Novel Tetrametallic Macrocyclic Fischer Carbene Complexes”. I. Fernández, M. J. Mancheño, M. Gómez-Gallego, M. A. Sierra, Org. Lett. 2003, 5, 1237.

5.     “Unexpected Reaction Pathways in the Reaction of Alkoxyalkynylchromium(0) Carbenes with Aromatic Dinucleophiles”. M. A. Sierra, M. J. Mancheño, J. C. Del Amo, I. Fernández, M. Gómez-Gallego, Chem. Eur. J. 2003, 9, 4943.

6.     “Light-Induced Aminocarbene to Imine Dyotropic Rearrangement in a Chromium(0) Center: An Unprecedented Reaction Pathway”. M. A. Sierra, I. Fernández, M. J. Mancheño, M. Gómez-Gallego, M. R. Torres, F. P. Cossío, A. Arrieta, B. Lecea, A. Poveda, J. Jiménez-Barbero, J. Am. Chem. Soc. 2003, 125, 9572.

7.     “Structure and Conformations of Heteroatom-Substituted Free Carbenes and their Group 6 Transition Metal Analogues”. I. Fernández, F. P. Cossío, A. Arrieta, B. Lecea, M. J. Mancheño, M. A. Sierra, Organometallics 2004, 23, 1065.

8.     “Chromium Imidate Complexes from the Metathesis-Like Reaction of Phosphinimines and Chromium(0) Fischer Carbene Complexes”. I. Fernández, M. J. Mancheño, M. Gómez-Gallego, M. A. Sierra, T. Lejon, L. K. Hansen, Organometallics 2004, 23, 1851.

9.     “ESI Mass Spectrometry as a Tool for the Study of Electron Transfer in Nonconventional Media: The Case of Bi- and Polymetallic Carbene Complexes”. R. Martínez-Álvarez, M. Gómez-Gallego, I. Fernández, M. J. Mancheño, M. A. Sierra, Organometallics 2004, 23,4647.

10.  “ESI Mass Spectrometry Study of the Intimate Mechanism of a Gas-Phase Organometallic Reaction by Selective Deuterium Labeling”. W. D. Wulff, K. A. Korthals, R. Martínez-Álvarez, M. Gómez-Gallego, I. Fernández, M. A. Sierra, J. Org. Chem. 2005, 70, 5269.

11.  “On the base-induced isomerization of cyclic propargylamides to cyclic allenamides”. I. Fernández, M. I. Monterde, J. Plumet, Tetrahedron Lett. 2005, 46, 6029.

12.  Computational and Experimental Studies on the Mechanism of the Photochemical Carbonylation of Group 6 Fischer Carbene Complexes” I. Fernández, M. A. Sierra, M. J. Mancheño, M. Gómez-Gallego, F. P. Cossío, Chem. Eur. J. 2005, 11, 5988.

13. The Photochemical Reactivity of the “Photo-Inert” Tungsten (Fischer) Carbene Complexes”. I. Fernández, M. A. Sierra, M. Gómez-Gallego, M. J. Mancheño, F. P. Cossío, Angew. Chem. Int. Ed. 2006, 45, 125.

14.  “Correlation between Hammett Substituent Constants and Directly Calculated π-Conjugation Strenght”. I. Fernández, G. Frenking, J. Org. Chem. 2006, 71, 2251.

15.  “Direct Estimate of the Strength of Conjugation and Hyperconjugation by the Energy Decomposition Analysis Method”. I. Fernández, G. Frenking, Chem. Eur. J. 2006, 12, 3617.

16.  “Stereoelectronic Effects on Type I 1,2-Dyotropic Rearrangements in Vicinal Dibromides”. I. Fernández, M. A. Sierra, F. P. Cossío, Chem. Eur. J. 2006, 12, 6323.

17.  “On the Structure and Spin States of Fe(III)-EDDHA Complexes”. M. Gómez-Gallego, I. Fernández, D. Pellico, A. Gutiérrez, M. A. Sierra, J. J. Lucena, Inorg. Chem. 2006, 45, 5321.

18.  Effect of the Metal Fragment in the Thermal Cycloaddition between Alkynyl Metal(0) Fischer Carbene Complexes and Nitrones”. I. Fernández, M. A. Sierra, F. P. Cossío, J. Org. Chem. 2006, 71, 6178.

19.  Stereochemistry of the Tetrabutylammonium Cyanide-Catalyzed Cyanosylilation of Cyclic α,β-Epoxyketones-Dependence of the Diastereoselectivity on the Ring Size”. A. Aljarilla, R. Córdoba, A. G. Csaky, I. Fernández, F. López Ortiz, J. Plumet, G. Ruiz Gómez, Eur. J. Org. Chem. 2006, 3969.

20.  ““Naked” Ga+ and In+ as Pure Acceptor Ligands: Structure and Bonding of [GaPt(GaCp*)4)][BArF]”. B. Buchin, C. Gemel, T. Cadenbach, I. Fernández, G. Frenking, R. A. Fischer, Angew. Chem.Int. Ed. 2006, 45, 5207.

Highlighted in: S. Aldridge, Angew. Chem. Int. Ed. Engl. 2006, 45, 8097-8099.

21.  π-Conjugation in Donor-Substituted Cyanoethynylethenes: an EDA Study. I. Fernández, G. Frenking, Chem. Comm. 2006, 5030.

Highlighted in: R. Warfield, Chem. Sci. 2007, 2, C11.

22.  Direct Estimate of Conjugation and Aromaticity in Cyclic Compounds with the EDA Method”. I. Fernández, G. Frenking, Faraday Discuss. 2007, 135, 403.

23.  “In-Plane Aromaticity in Double Group Transfer Reactions”. I. Fernández, M. A. Sierra, F. P. Cossío, J. Org. Chem. 2007, 72, 1488.

24.  Divergent Pathways in the Reaction of Fischer Carbenes and Palladium”. M. P. López-Alberca, M. J. Mancheño, I. Fernández, M. Gómez-Gallego, M. A. Sierra, R. Torres, Org. Lett. 2007, 9, 1757.

25.  Mechanism of the Generation of Ketinimine-M(CO)n Complexes (M = Cr, W, Fe) from Fischer Carbenes and Isocyanides”. I. Fernández, F. P. Cossío, M. A. Sierra, Organometallics 2007, 26, 3010.

26.  “Aromaticity in Metallabenzenes”. I. Fernández, G. Frenking, Chem. Eur. J. 2007, 13, 5873.

27.  “Synthesis and electronic structure of a ferroborirene”. H. Braunschweig, I. Fernández, G. Frenking, K. Radacki, F. Seeler, Angew. Chem. Int. Ed. 2007, 46, 5215.

28.  Hyperconjugative Stabilization in Alkyl Carbocations: Direct Estimate of the b-Effect of Group-14 Elements”. I. Fernández, G. Frenking, J. Phys. Chem. A 2007, 111, 8028.

29.  “Multimetallocenes. A Theoretical Study. A. Velázquez, I. Fernández, G. Frenking, G. Merino, Organometallics 2007, 26, 4731.

30.  “EDA Study of p-Conjugation in Tunable Bis(gem-diethynylethene) Fluorophores. I. Fernández, G. Frenking, J. Org. Chem. 2007, 72, 7367.

31.  “Stable Pentacoordinate Carbocations: Structure and Bonding. I. Fernández, E. Uggerud, G. Frenking, Chem. Eur. J. 2007, 13, 8620.

32.  “Double Group Transfer Reactions as Indicators of Aromatic Stabilization”. G. Frenking, Fernando P. Cossío, Miguel A. Sierra, I. Fernández, Eur. J. Org. Chem. 2007, 5410.

33.  “Steric vs Electronic Effects in the Structure of Heteroatom (S and O) Substituted Free and Metal (Cr and W) Complexed Carbenes. D. M. Andrada, Martín E. Zoloff Michoff, I. Fernández, Alejandro M. Granados, Miguel A. Sierra, Organometallics 2007, 26, 5854.

34.  Cu-Catalyzed Synthesis of Symmetric Group 6 (Fischer) bis-Carbene Complexes”. M. P. López-Alberca, M. J. Mancheño, I. Fernández, M. Gómez-Gallego, M. A. Sierra, Org. Lett. 2008, 10, 365.

35.  Structural Evidence for the Antiaromaticity in Free Boroles”. H. Braunschweig, I. Fernández, G. Frenking, T. Kupfer, Angew. Chem. Int. Ed. 2008, 47, 1951.

36.  “DFT Study on the Diels-Alder Cycloaddition between Alkenyl-M(0) (M=Cr, W) Carbene Complexes and Neutral 1,3-Dienes”. I. Fernández, M. A. Sierra, F. P. Cossío, J. Org. Chem. 2008, 73, 2083.

37.  “Structure and Bonding of [E–Cp–E"]+ complexes (E and E" = B–Tl; Cp = Cyclopentadienyl). I. Fernández, E. Cerpa, G. Merino, G. Frenking, Organometallics 2008, 27, 1106.

38.  The Non-Carbonylative Photochemistry of Group 6 Fischer Carbene Complexes” I. Fernández, M. A. Sierra, M. J. Mancheño, M. Gómez-Gallego, F. P. Cossío, Eur. J. Inorg. Chem. 2008, 2454.

39.  The Electronic Structure of Alkoxychromium(0) Carbene Complexes: a Joint TD-DFT/Experimental Study” Marta L. Lage, I. Fernández, M. J. Mancheño, M. A. Sierra, Inorg. Chem. 2008, 47, 5253.

40.  “Further Shortening of the C-C Single Bond in Substituted Tetrahedranyl Tetrahedrane Systems: An Energy Decomposition Analysis. G. Gayatri, Y. Soujanya, I. Fernández, G. Frenking, G. N. Sastry, J. Phys. Chem. A 2008, 112, 12919.

41.  π-Stacking Effect on Levoglucosenone Derived Internal Chiral Auxiliaries. A case of Complete Enantioselectivity Inversion on the Diels-Alder Reaction. A. M. Sarotti, I. Fernández, R. A. Spanavello, M. A. Sierra, A. G. Suárez, Org. Lett. 2008, 10, 3389.

42.   “Computational and Experimental Tools in Solving Some Mechanistic Problems in the Chemistry of Fischer Carbene Complexes. M. A. Sierra, I. Fernández, F. P. Cossío, Chem. Comm. 2008, 4671.

43.  Twelve One-Electron Ligands Coordinating one Metal Center: Structure and Bonding of [Mo(ZnCH3)9(ZnCp*)3]”. T. Cadenbach, T. Bollermann, C. Gemel, I. Fernández, M. von Hopffgarten, G. Frenking, R. A. Fischer, Angew. Chem.Int. Ed. 2008, 47, 9150.

Highlighted in: (a) S. K. Ritter, Chem.& Eng. News 2008, 86, 44 and (b) S. Aldrige, Angew. Chem. Int. Ed. 2009, 48, 4109.

44.  Deeper Insight into the Mechanism of the Reaction of Photo-Generated Metallaketenes and Imines”. I. Fernández, M. A. Sierra, M. J. Mancheño, M. Gómez-Gallego, F. P. Cossío, J. Am. Chem. Soc. 2008, 130, 13892.

45.  Organometallic Chemistry of Ga+: Formation of an unusual Gallium-Dimer in the Coordination Sphere of Ruthenium”. T. Cadenbach, C. Gemel, T. Bollermann, I. Fernández, G. Frenking, R. A. Fischer, Chem. Eur. J. 2008, 14, 10789.

46.  “Transmetallation Reaction from Fischer Carbene Complexes to Late Transition Metals: a DFT Study”. I. Fernández, M. J. Mancheño, R. Vicente, L. A. Oro, M. A. Sierra, Chem. Eur. J. 2008, 14, 11222.

47. "Is it Possible to Synthesize a Neutral Noble Gas Compound Which Possesses a Ng-Ng Bond? A Theoretical Study of H-Ng-Ng-F (Ng = Ar, Kr, Xe)”. O. Jiménez-Halla, I. Fernández, G. Frenking, Angew. Chem.Int. Ed. 2009, 48, 366.  

48.   “The interplay between steric and electronic effects in SN2 reactions”. I. Fernández, E. Uggerud, G. Frenking, Chem. Eur. J. 2009, 15, 2166.

49.  Metal Tuned Photochemistry of Metallocene Substituted Chromium(0) Carbene Complexes”. Marta L. Lage, I. Fernández, M. J. Mancheño, M. Gómez-Gallego, M. A. Sierra, Chem. Eur. J. 2009, 15, 593.

50.  Synthesis and Properties of Mononuclear Group 10 Alkoxy-Biscarbene Complexes”. M. P. López-Alberca, M. J. Mancheño, I. Fernández, M. Gómez-Gallego, M. A. Sierra, M. R. Torres, Chem. Eur. J. 2009, 15, 3595.

51.  “The Behavior of Group 6 Fischer Aminocarbene Complexes in a Supercharged Medium: A Single Electron Transfer–H Atom Transfer (SET-HAT) Process”, M. L. Lage, M. J. Mancheño, R. Martínez-Álvarez, M. Gómez-Gallego, I. Fernández, M. A. Sierra, Organometallics 2009, 28, 2762.

52.  “Borylene-based Direct Functionalization of Organic Substrates: Synthesis, Characterization and Photophysical Properties of π-Conjugated Borirenes”, H. Braunschweig, T. Herbst, D. Rais, S. Ghosh, T. Kupfer, K. Radacki, A. Crawford, R. Ward, T. Marder, I. Fernández, G. Frenking, J. Am. Chem. Soc. 2009, 131, 8989.

53.  “Exocyclic Delocalization at the Expense of Aromaticity in 3,5-bis(p-Donor) Substituted Pyrazolium Ions and Corresponding Cyclic Bent Allenes”, I. Fernández, C. Adam Dyker, A. DeHope, B. Donnadieu, G. Frenking, G. Bertrand, J. Am. Chem. Soc. 2009, 131, 11875.

54.  “Aromatization of a Dihydro-3-ruthenaindolizine Complex”, M. A. Esteruelas, I. Fernández, S. Fuertes, A. M. López, E. Oñate, M. A. Sierra, Organometallics 2009, 28, 4876.

55.  Dyotropic Reactions: Mechanisms and Synthetic Applications. I. Fernández, F. P. Cossío, M. A. Sierra, Chem. Rev. 2009, 109, 6687.

56.  Double Group Transfer Reactions: Role of Activation Strain and Aromaticity for Reaction Barriers”. I. Fernández, F. P. Cossío, F. M. Bickelhaupt, Chem. Eur. J. 2009, 15, 13022.

57.  Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n ≥ 8) Containing Organo-Zinc Ligands”. T. Cadenbach, T. Bollermann, C. Gemel, M. Tombul, I. Fernández, M. v. Hopffgarten, G. Frenking, R. A. Fischer, J. Am. Chem. Soc. 2009, 131, 16063.

58.  “Multiple C-H Bond Activation of Phenyl Substituted Pyrimidines and Triazines Promoted by an Osmium-Polyhydride: Formation of Osmapolycycles with Three, Five, and Eight Fused Rings”. M. A. Esteruelas, I. Fernández, A. Herrera, M. Martín-Ortiz, R. Martínez-Álvarez, M. Oliván, E. Oñate, M. A. Sierra, M. Valencia, Organometallics 2010, 29, 976.

59.  Studying Double Group Transfer Reactions by Means of Computational Methods”. I. Fernández, F. P. Cossío, Curr. Org. Chem. 2010, 14, 1578.

60.  The Electronic Structure and Photochemistry of Group 6 Bimetallic (Fischer) Carbene Complexes: Beyond the Photocarbonylation Reaction”. M. L. Lage, I. Fernández, M. J. Mancheño, M. Gómez-Gallego, M. A. Sierra, Chem. Eur. J. 2010, 16, 6616.

61.  Reacciones Diotrópicas: Mecanismos y Aplicaciones en Síntesis”. I. Fernández, An. Quím. 2010, 106, 89.

62.  Rate determining factors in nucleophilic aromatic substitution reactions. I. Fernández, G. Frenking, E. Uggerud, J. Org. Chem. 2010, 75, 2971.

63.  Response to the Comment on “The Interplay between Steric and Electronic Effects in SN2 Reactions”. I. Fernández, G. Frenking, E. Uggerud, Chem. Eur. J. 2010, 16, 5542.

64.  Concerted and Stepwise Mechanisms in Metal-Free and Metal-Assisted [4+3] Cycloadditions Involving Allyl Cations. I. Fernández, F. P .Cossío, A. de Cózar, A. Lledós, J. L. Mascareñas, Chem. Eur. J. 2010, 16, 12147.

65.  Consistent Aromaticity Evaluations of Methylenecyclopropene Analogs”. Y. Wang, I. Fernández, M. Duvall, J. I. Wu, Q. Li, P. v. R. Schleyer, G. Frenking, J. Org. Chem. 2010, 75, 8252.

66. “Nickel-catalyzed [3+2+2] cycloadditions between alkynylidenecyclopropanes and activated alkenes”. L. Saya, G. Bhargava, M. A. Navarro, M. Gulías, F. López, I. Fernández, L. Castedo, J. L. Mascareñas. Angew. Chem. Int. Ed. 2010, 49, 9886.