Kantchev, Eric A.B. - 合肥工业大学

研究领域

Mechanistic and synthetic studies and molecular design of organic and organometallic molecules and materials.

近期论文

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01. Peh, G.-R.; Kantchev, E. A. B.; Zhang, C.; Ying, J. Y. “N-Heterocyclic carbene (NHC)-ligated cyclopalladated N,N-dimethylbenzylamine: A highly active, practical and versatile Heck-Mizoroki precatalyst” Org. Biomol. Chem. 2009, 7, 2110-2119. 02. Peh, G.-R.; Kantchev, E. A. B.; Er, J.-C.; Ying, J. Y. “Rational exploration of N-heterocyclic carbene (NHC)-palladacycle diversity: A highly active and versatile precatalyst for Suzuki-Miyaura couplings of deactivated aryl- and alkyl substrates” Chem. Eur. J. 2010, 16, 4010-4017. 03. Chass, G. C.; Kantchev, E. A. B.; Fang, D. C. “The fine balance between one cross-coupling and two -hydride elimination pathways: A high level DFT (SCRF=PCM) mechanistic investigation of Ni(-allyl)2-catalyzed cross-coupling of alkyl halides and alkyl Grignard reagents” Chem. Commun. 2010, 46, 2727-2729. 04. Kantchev, E. A. B. “The origin of regio- and enantioselectivity in the Rh/chiral 1,4-diene catalyzed addition of phenylboronic acid to enones: Insights from DFT” Chem. Commun. 2011, 47, 10969-10971. 05. Kantchev, E. A. B.; Tan, H. S.; Norsten, T. B.; Sullivan, M. B. “O,O´-Disubstituted N,N´-dihydroxynaphthalenediimides (DHNDI): First principles designed organic building blocks for materials science” Org. Lett. 2011, 13, 5432-5435. 06. Kantchev, E. A. B.; Norsten, T. B. Sullivan, M. B. “Chemically accurate and computationally-efficient time-dependent density functional theory (TD-DFT) modelling of the UV/Vis spectra of Pechmann dyes and related compounds” Proc. Comp. Sci. 2011, 4, 1157-1166. 07. Sasaki, K. Nishimura, T.; Shintani, R.; Kantchev, E. A. B., Hayashi, T. “Rhodium/diene-catalyzed tandem 1,4-shift/1,4-addition of (E)-1,2-diphenylethenylboronic acid to enones: density functional theory modelling and asymmetric catalysis” Chem. Sci. 2012, 3, 1278-1283. 08. Luo, S. C.; Kantchev, E. A. B.; Zhu, B.; Siang, W.-V.; Yu, H.-H. “Tuneable, dynamic and electrically stimulated lectin-carbohydrate recognition on a glycan-grafted conjugated polymer” Chem. Commun. 2012, 48, 6942-6944. 09. Kantchev, E. A. B.; Norsten, T. B.; Sullivan, M. B. “Time-dependent density functional theory (TDDFT) modelling of Pechmann dyes: from accurate absorption maximum prediction to virtual dye screening” Org. Biomol. Chem. 2012, 6682-6692. 10. Liu, H.-J.; Kantchev, E. A. B.; Tan, H.-S.; Norsten, T. B. “Structural, electronic and optical properties of thiophene & thienothiophene containing diketo-pyrrolo-pyrroles (DPPs) in polar aprotic solvents” J. Mol. Eng. Mater., 2013, 1, 1250003. 11. Kantchev, E. A. B. “Cooperativity between steric repulsion and crossed diene coordination governs the enantioselectivity in rhodium(i)/chiral, 1,4- and 1,5-diene-catalysed 1,4-addition reaction: a DFT study” Chem. Sci. 2013, 4, 1864-1875. 12. Qin, H.-L.; Han, J.-B.; Hao, J.-H.; Kantchev, E. A. B. “Computational and experimental comparison of diphosphane and diene ligands in the Rh-catalysed carboxylation of organoboron compounds with CO2” Green Chem. 2014, 16, 3224-3229. 13. Qin, H.-L.; Chen, X.-Q.; Huang, Y.-Z.; Kantchev, E. A. B. "A first-principles examination of the asymmetric induction model in the binap/Rh(I)-catalyzed 1,4-addition of phenylboronic acid to cyclic enones by DFT calculations" Chem. Eur. J. 2014, 20, accepted; doi: 10.1002/chem.201402451