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Dr. Israel Fernández

Prof. Contratado Doctor (UCM)

israel@quim.ucm.es

 

Recent Publications (2011-today)

133. “Activation Strain Model and Molecular Orbital Theory: Understanding and Designing Chemical Reactions”. I. Fernández, F. M. Bickelhaupt, Chem.Soc. Rev. 2014, in press.

132. “Redox behaviour of cymantrenyl Fischer carbene complexes in designing organometallic multi-tags”. D. I. Bezuidenhout, B. van der Westhuizen, P. J. Swarts, T. Chatturgoon, O. Q. Munro, I. Fernández, J. C. Swarts, Chem. Eur. J. 2014, in press.

131. “Synthesis of Fused Cyclopentenones through Pd-Catalyzed Cyclization of 2-Iodoaryl Allenols”. B. Alcaide, P. Almendros, J. M. Alonso, I. Fernández, S. Khodabakhshi, Adv. Synth. Catal. 2014, 356, 1370.

130. “Aromaticity in Transition Structures”. P. v. R. Schleyer, J. I. Wu, F. P. Cossío, I. Fernández, Chem. Soc. Rev. 2014, in press.

129. “A Gold-catalyzed imine-propargylamine cascade sequence: Synthesis of 3-substituted-2,5-dimethylpyrazines and reaction mechanism”. B. Alcaide, P. Almendros, J. M. Alonso, I. Fernández, G. Gómez-Campillos, M. R. Torres, Chem. Comm. 2014, 50, 4567.

128. “Combined Activation Strain Model and Energy Decomposition Analysis Methods: A New Way to Understand Pericyclic Reactions”. I. Fernández, Phys. Chem. Chem. Phys. 2014, 16, 7662.

127. “Osmium-Promoted Dehydrogenation of Amine-Boranes and B-H Bond Activation of the Resulting Amino-Boranes”. M. A. Esteruelas, I. Fernández, A. M. López, M. Mora, E. Oñate, Organometallics. 2014, 33, 1104.

126. “Allenes and Computational Chemistry: from Bonding Situations to Reaction Mechanisms”. E. Soriano, I. Fernández, Chem. Soc. Rev. 2014, 43, 3041.

125. “Ene-ene-yne Reactions: Activation Strain Analysis and Role of Aromaticity”. I. Fernández, F. M. Bickelhaupt, F. P. Cossío, Chem. Eur J. 2014, 20, in press.

124. “Tuning the photophysical properties of BODIPY’s by π-conjugation with Fischer carbene complexes”. G. M. Chu, I. Fernández, M. A. Sierra, Chem. Eur J. 2014, 20, 1367.

123. “The Photochemical Reaction of Vinylaziridines and Vinylazetidines with Cr(0) and Mo(0) (Fischer) Carbene Complexes”. A. A. Rivero, I. Fernández, M. A. Sierra, Chem. Eur J. 2014, 20, 1359.

122. “Origin of the “Endo Rule” in Diels-Alder Reactions”. I. Fernández, F. M. Bickelhaupt, J. Comput. Chem. 2014, 35, 371. (see here)

121. “Fischer-type gold(I) carbene complexes stabilized by aurophilic interactions”. D. I. Bezuidenhout, B. van der Westhuizen, A. J. Rosenthal, M. Wörle. D. C. Liles, I. Fernández, Dalton Trans. 2014, 43, 398. (see here)

120. “Electrochemical and computational study of tungsten(0) ferrocene complexes: observation of the mono-oxidized tungsten(0) ferrocenium species and intramolecular electronic interactions”. D. I. Bezuidenhout, I. Fernández, B. v. der Westhuizen, P. J. Swarts, J. C. Swarts, Organometallics 2013, 32, 7334.

119. “Regio- and Diastereoselective Stepwise [8+3]-Cycloaddition Reaction between Tropone Derivatives and Donor-Acceptor Cyclopropanes”. A. A. Rivero, I. Fernández, M. A. Sierra, Org. Lett. 2013, 355, 2681.

118. “Reactivity in Nucleophilic Vinylic Substitution (SnV): SnVπ versus SnVσ Mechanistic Dichotomy”. I. Fernández, F. M. Bickelhaupt, E. Uggerud, J. Org. Chem. 2013, 78, 8574.

117. “Platinum-Catalyzed Divergent Reactivity of α-Hydroxyallenes: Synthesis of Dihydrofurans and α,β-Unsaturated Ketones”. B. Alcaide, P. Almendros, T. Martínez del Campo,T. Naranjo, I. Fernández, Adv. Synt. Catal. 2013, 355, 2681.

116. “Controlling the Ambiphilic Nature of σ-Arylpalladium Intermediates in Intramolecular Cyclization Reactions”. D. Solé, I. Fernández, Acc. Chem. Res. 2013, in press.

115. “Iodine recycling via 1,3-migration in iodoindoles under metal catalysis”. B. Alcaide, P. Almendros, J. M. Alonso, Sara Cembellín, I. Fernández, T. Martínez del Campo, M. R. Torres, Chem. Comm. 2013, 49, 7779.

114. “Carbocyclization versus Oxycyclization on the Metal-Catalyzed Reactions of Oxyallenyl C3-Linked Indoles”. B. Alcaide, P. Almendros, J. M. Alonso, I. Fernández, J. Org. Chem. 2013, 78, 6688.

113. “Substituent Effects on “Hyperconjugative” Aromaticity and Antiaromaticity in Planar Cyclopolyenes”. I. Fernández, J. I. Wu, P. v. R. Schleyer, Org. Lett. 2013, 15, 2290.

112. “Noyori Hydrogenation: Aromaticity, Synchronicity and Activation Strain Analysis”. O. Nieto Faza, C. Silva López, I. Fernández, J. Org. Chem. 2013, 78, 5669.

111. “Substituent Effects on the Electrochemical, Spectroscopic and Structural Properties of Fischer Mono- and Biscarbene Complexes of Chromium(0)”. B. van der Westhuizen, P. J. Swarts, L. M. van Jaarsveld, D. C. Liles, U. Siegert, J. C. Swarts, I. Fernández, D. I. Bezuidenhout, Inorg. Chem. 2013, 52, 6674.

110. “Cationic Dihydride-Boryl- and Dihydride-Silyl-Osmium(IV)-NHC Complexes: A Marked Diagonal Relationship”. M. L. Buil, M. A. Esteruelas, I. Fernández, S. Izquierdo, E. Oñate, Organometallics 2013, 32, 2744.

109. “Gold-Catalyzed Oxycyclization of Allenic Carbamates: Expeditive Synthesis of 1,3-Oxazin-2-one”. B. Alcaide, P. Almendros, M. T. Quirós, I. Fernández, Beilstein J. Org. Chem. 2013, 9, 818.

108. “Why do cycloaddition reactions involving C60 prefer [6,6]- over [5,6]-bonds?”. I. Fernández, M. Solà, F. M. Bickelhaupt, Chem. Eur. J. 2013, 19, 7416.

107. “Synthesis, Structure, and Electronic Properties of Extended π-Conjugated Group 6 Fischer Alkoxy-Biscarbene Complexes”. G. M. Chu, I. Fernández, M. A. Sierra, Chem. Eur. J. 2013, 19, 5899.

106. “Electrochemical illumination of thienyl and ferrocenyl chromium(0) Fischer carbene complexes”. B. van der Westhuizen, P. J. Swarts, I. Strydom, D. C. Liles ,I. Fernández, J. C. Swarts ,D. I. Bezuidenhout, Dalton Trans. 2013, 42, 5367.

105. “Functionalized arene-ruthenium(II) complexes: dangling vs. tethering side chain”. B. Lastra-Barreira, J. Díez, P. Crochet, I. Fernández, Dalton Trans. 2013, 42, 5412.

104. “The Au(I) and Ag(I) Catalyzed Nicholas Reaction”. C. Valderas, M. C. de la Torre, I. Fernández, M. P. Muñoz, M. A. Sierra, Organometallics 2013, 32 , 951.

103. “Control over the E/Z-selectivity of the Catalytic Dimerization of Group 6 (Fischer) Metal Carbene Complexes”. G. M. Chu, I. Fernández, M. A. Sierra, J. Org. Chem. 2013, 78, 865.

102. “Gold-catalysed tuning of reactivity in allenes: 9-endo hydroarylation versus formal 5-exo hydroalkylation”. B. Alcaide, P. Almendros, S. Cembellín, T. Martínez del Campo, I. Fernández, Chem. Comm. 2013, 49, 1282.

101. “Mono and Dinuclear Osmium N,N’-Di- and Tetraphenylbipyridyls and Extended Bipyridyls. Synthesis, Structure and Electrochemistry”. M. A. Esteruelas, I. Fernández, M. Gómez-Gallego, M. Martín-Ortíz, P. Molina, M. Oliván, F. Otón,M. A. Sierra, M. Valencia, Dalton Trans. 2013, 42, 3597.

100. “The Description of Aromaticity in Porphyrinoids”. J. I-C. Wu, I. Fernández, P. v. R. Schleyer, J. Am. Chem. Soc. 2013, 135, 315.

99. “Computational insights on the mechanism of the catalytic hydrogenation with BINAP-diamine-Ru complexes: the role of base and origin of selectivity”. O. Nieto Faza, I. Fernández, C. Silva López, Chem. Comm. 2013, 49, 4277.

98. “On the incidence of non-covalent intramolecular interligand interactions on the conformation of carbene complexes: a case study". N. Lugan, I. Fernández, R. Brousses, D. A. Valyaev, G. Lavigne, N. A. Ustynyukd, Dalton Trans. 2013, 42, 898.

97. “Intramolecular Pd(0)-Catalyzed Reactions of (2-Iodoanilino) Aldehydes: A Joint Experimental-Computational Study”. D. Solé, F. Mariani, I. Fernández, M. A. Sierra, J. Org. Chem. 2012, 77, 10272.

96. “Rational Design of a non-Basic Molecular Receptor for Selective NH4+/K+ Complexation in the Gas-Phase”. A. Rueda-Zubiaurre, N. Herrero-García, M. R. Torres, I. Fernández, J. Osío Barcina, Chem. Eur. J. 2012, 18, 16884.

95. “Regioselective and Stepwise [8+2] Cycloaddition Reaction between Alkynyl-Fischer Carbene Complexes and Tropothione”. A. R. Rivero, I. Fernández, M. A. Sierra, J. Org. Chem. 2012, 77, 6648.

94. “Preparation, Structure, Bond, and Preliminary Reactivity of a Six-Coordinate d4 Osmium-Boryl Complex”. M. A. Esteruelas, I. Fernández, A. M. López, M. Mora, E. Oñate, Organometallics 2012, 31, 4646.

93. “Palladium-Catalised Carbocyclization-Cross-coupling Reaction of two Different Allenic Moieties: Synthesis of 3-(buta-1,3-dienyl) Carbazoles and Mechanistic Insight”. B. Alcaide, P. Almendros, J. M. Alonso, I. Fernández, Chem. Comm. 2012, 48, 6604.

92. “Neutral Noble Gas Compounds Exhibiting a Xe–Xe Bond: Structure, Stability and Bonding Situation”. I. Fernández, G. Frenking, Phys. Chem. Chem. Phys. 2012, 14, 14869.

(see here)

91. “Type-I Dyotropic Reactions: Understanding Trends in Barriers”. I. Fernández, F. M. Bickelhaupt, F. P. Cossío, Chem. Eur. J. 2012, 18, 12395.(see here)

90. “Synthesis and Characterisation of [6]-Azaosmahelicenes: The First d4-Heterometallahelicenes”. O. Crespo, B. Eguillor, M. A. Esteruelas, I. Fernández, J. García-Raboso, M. Gómez-Gallego, M. Martín-Ortiz, M. Oliván, M. A. Sierra, Chem. Comm. 2012, 48, 5328.

89. “Why Cyclooctatetraene is Highly Stabilized: The Importance of “Two-way” (Double) Hyperconjugation”. J. I. Wu, I. Fernández, Y. Mo, P. v. R. Schleyer, J. Chem. Theory Comp. 2012, 8, 1280.

88. “A Joint Experimental and Computational Investigation on Homoconjugated Push-Pull Chromophores Derived from 7,7-Diphenylnorbornane”. N. Herrero-García, M. R. Colorado Heras, M. R. Torres, I. Fernández, J. Osío Barcina, Eur. J. Org. Chem. 2012, 2643.

87. “Controlling the Chemoselectivity of Palladium Catalysed Cyclizations of (2-iodoanilino)-carbonylic Compounds”. D. Solé, I. Fernández, M. A. Sierra, Chem. Eur. J. 2012, 18, 6950.

86. “Effects of Attractive Through Space π-π* Interactions on the Structure, Reactivity, and Activity of Grubbs II Complexes”. I. Fernández, N. Lugan, G. Lavigne, Organometallics 2012, 31, 1155.

85. “Biological Activity of Fe(III) acquo-complexes towards Ferric Chelate Reductase (FCR)”. R. Escudero,M. Gómez-Gallego,S. Romano,I. Fernández, A. Gutiérrez-Alonso,M. A. Sierra,S. López-Rayo,P. Nadal, J. J. Lucena, Org. Biomol. Chem. 2012, 10, 2272.

84. “Alder-Ene Reaction: Aromaticity and Activation Strain Analysis”. I. Fernández, F. M. Bickelhaupt, J. Comput. Chem. 2012, 33, 509.

83. “7-Arylnorbornanes: Model Compounds for the Study of the Nature of CH···π and OH···π Interactions”. J. Osío Barcina, I. Fernández, M. R. Colorado Heras, Eur. J. Org. Chem. 2012, 940.

82. “Transition Metal-Catalysed (4+3) Cycloaddition Reactions Involving Allyl Cations”. I. Fernández, J. L. Mascareñas, Org. Biomol. Chem. 2012, 10, 699. (see here)

81. “Striking Alkenol versus Allenol Reactivity: Metal-Catalyzed Chemodifferentiating Oxycyclization of Enallenols”. B. Alcaide, P. Almendros, T. Martínez del Campo, M. C. Redondo, I. Fernández, Chem. Eur. J. 2011, 17, 15005.

80. “Fascinating reactivity in gold catalysis: Synthesis of oxetenes through rare 4-exo-dig allene cyclization and infrequent β-hydride elimination”. B. Alcaide, P. Almendros, T. Martínez del Campo, I. Fernández, Chem. Comm. 2011, 47, 9054.

79. “Trapping Intermediates in a [8+2] Cycloaddition Reaction with the help of DFT-Calculations”. M. L. Lage, I. Fernández, M. A. Sierra, M. R. Torres, Org. Lett. 2011, 13, 2892.

78. “Direct Estimate of the Aromaticity Strength with the Energy Decomposition Analysis Method”. I. Fernández, G. Frenking, Open Org. Chem. Journal. 2011, 5, 79.

77. “Photochemistry of Group 6 Fischer Carbene Complexes: Beyond the Photocarbonylation Reaction”. I. Fernández, F. P. Cossío, M. A. Sierra, Acc. Chem. Res. 2011, 44, 479.

76. “Insight into the Mechanism of Quinoline formation by the Chromium(0) Fischer Carbene Catalytic Transmetallation to Pd and Rh: Application to the Synthesis of the Alkaloids of Ruta Chalepensis”. M. P. López-Alberca, I. Fernández, M. J. Mancheño, M. Gómez-Gallego, L. Casarrubios, M. A. Sierra, Eur. J. Org. Chem. 2011, 3293.

75. “Do n(CO) stretching frequencies in metal carbonyl complexes unequivocally correlate with the intrinsic electron-donicity of ancillary ligands?”. D. A. Valyaev, R. Brousses, N. Lugan, I. Fernández, M. A. Sierra, Chem. Eur. J. 2011, 17, 6602.

74. “A General Route to Olefins and Polyenes Having Metal Termini through the Pd-Catalyzed Self Dimerization of Bimetallic Fischer Carbenes”. M. L. Lage, D. Curiel, I. Fernández, M. J. Mancheño, M. Gómez-Gallego, P. Molina, M. A. Sierra, Organometallics 2011, 30, 1794.

73. “Aromaticity and Activation Strain Analysis of [3+2] Cycloaddition Reactions Between Group 14 Heteroallenes and Triple Bonds”. I. Fernández, F. P. Cossío, F. M. Bickelhaupt, J. Org. Chem. 2011, 76, 2310.

72. “Peroxide Bond Strength of Antimalarial Drugs Containing an Endoperoxide Cycle. Relation with Biological Activity”. I. Fernández, A. Robert, Org. Biomol. Chem. 2011, 9, 4098.

71. “A DFT-Study of the Ambiphilic Nature of Aryl-Palladium Species in Intramolecular Cyclization Reactions”. I. Fernández, D. Solé, M. A. Sierra, J. Org. Chem. 2011, 76, 1592.

70. “Electron Delocalization in Aromatic Homoconjugated Systems: A Computational and Experimental Study”. N. García-Herrero, I. Fernández, J. Osío, Chem. Eur. J. 2011, 17, 7327.

69. “DFT Study of Thermal 1,3-Dipolar Cycloaddition reactions between Alkynyl Metal(0) Fischer Carbene Complexes and 3H-1,2-dithiole-3-thione derivatives”. D. Andrada, M. A. Granados, M. Solá, I. Fernández, Organometallics 2011, 30, 466.

68. “Aromaticity in Group-14 Homologues of the Cyclopropenylium Cation”. I. Fernández, M. Duvall, J. I. Wu, P. v. R. Schleyer, G. Frenking, Chem. Eur. J. 2011, 17, 2215.

67. “The Synthesis, Structure and Electrochemisty of Macrocyclic Tetrametallic Group 6 (Fischer) Carbene Complexes”. M. P. López-Alberca, M. J. Mancheño, I. Fernández, M. Gómez-Gallego, M. A. Sierra, C. Hemmert, K. H. Gornitzka, Eur. J. Inorg. Chem. 2011, 842.