Proyectos de Investigación

2014


146. “Controlling the oxidative addition of aryl halides to Au(I)”. I. Fernández, L. P. Wolters, F. M. Bickelhaupt, J. Comput. Chem. 2014, 35, 2140.  (see here)

145. “Nickel-Catalyzed Intramolecular [3 + 2 + 2] Cycloadditions of Alkylidenecyclopropanes. A Straightforward Entry to Fused 6,7,5-Tricyclic Systems”. L. Saya, I. Fernández, F. López, J. L. Mascareñas, Org. Lett. 2014, 16, 5008.

144. “Synthesis of Isoquinolin-4-ols by Palladium-Catalysed Intramolecular Nucleophilic Addition of Aryl Iodides to Aldehydes”. D. Solé, F. Mariani, I. Fernández, Adv. Synth. Catal. 2014, 356, 3237.

143. “Synthesis and electrochemical investigation of chromium(0)ferrocenyl-substituted carbene complexes”. D. I. Bezuidenhout, B. v. d. Westhuizen, I. Strydom, P. J. Swarts, J. C. Swarts, I. Fernández, Inorg. Chim. Acta 2014, 423, 184.

142. “Discovering mechanistic insights by application of tandem ultrafast multidimensional NMR techniques”. I. Fernández, M. E. Fernández-Valle, R. Martínez-Álvarez, D. Molero-Vílchez, Z. D. Pardo, E. Sáez-Barajas, Á. Sánchez, A. Herrera, J. Org. Chem. 2014, 79, 8086.

141. “Rhodium-catalyzed Intramolecular (3 + 2 + 2) Cycloadditions between Alkylidenecyclopropanes, Alkynes and Alkenes”. M. Araya, M. Gulías, I. Fernández, G. Bhargava, L. Castedo, J. L. Mascareñas, F. López, Chem. Eur. J. 2014, 20, 10255.

140. “One-Pot Synthesis of 1,3,5-Triazine Derivatives via Controlled Cross-Cyclotrimerization of Nitriles. A Mechanism Approach”. A. Herrera, A. Riaño, R. Moreno,  B. Caso,  Z. D. Pardo, I. Fernández,  E. Sáez, D. Molero, A. Sánchez-Vázquez, R. Martínez-Alvarez, J. Org. Chem. 2014, 79, 7012.

139. “Microwave-Promoted Synthesis of Bicyclic Azocine-β-Lactams from Bis(allene)s”. B. Alcaide, P. Almendros, C. Aragoncillo, I. Fernández, G. Gómez-Campillos, J. Org. Chem. 2014, 79, 7075.

138. “Origin of Reactivity Trends of Noble-Gas Endohedral Fullerenes Ng2@C60 (Ng = He to Xe)”. I. Fernández, M. Solà, F. M. Bickelhaupt, J. Chem. Theory Comp. 2014, 10, 3863.

137. “Unprecedented Addition of Tetrahydroborate to an Osmium-Carbon Triple Bond”. M. L. Buil, J. J. F. Cardo, M. A. Esteruelas, I. Fernández, E. Oñate, Organometallics 2014, 33, 2689.

136. (Book Chapter) “Understanding Trends in Reaction Barriers” in Discovering the Future of Molecular Sciences (Ed.: B. Pignataro), I. Fernández, pp. 165–187, Wiley-VCH, Weinheim 2014.

135. (Book Chapter) “Direct Estimate of Conjugation, Hyperconjugation, and Aromaticity with the Energy Decomposition Analysis Method” in The Chemical Bond – Chemical Bonding Across the Periodic Table (Eds.: G. Frenking, S. Shaik), I. Fernández, pp. 357–382, Wiley-VCH, Weinheim 2014.

134. (REVIEW) “Activation Strain Model and Molecular Orbital Theory: Understanding and Designing Chemical Reactions”. I. Fernández, F. M. Bickelhaupt, Chem.Soc. Rev. 2014, 43, 4953.

133. “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, 20, 4974.

132. “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.

131. (REVIEW) “Aromaticity in Transition Structures”. P. v. R. Schleyer, J. I. Wu, F. P. Cossío, I. Fernández, Chem. Soc. Rev. 2014, 43, 4909.  (see here)

130. “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.

129. (Perspective) “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.

128. “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.

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

126. “Ene-ene-yne Reactions: Activation Strain Analysis and Role of Aromaticity”. I. Fernández, F. M. Bickelhaupt, F. P. Cossío, Chem. Eur J. 2014, 20, 10791.

125. “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.

124. “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.

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

122. “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)

121. (REVIEW) “Controlling the Ambiphilic Nature of σ-Arylpalladium Intermediates in Intramolecular Cyclization Reactions”. D. Solé, I. Fernández, Acc. Chem. Res. 2014, 47, 168.