List of publications on Chiral discrimination studies

To see the abstract/pdf, click on the title of the article.
For reprints contact us:
ibon alkorta, jose elguero
Computational chemistry group-IQM
Instituto de Química Médica
CSIC

2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 2002

2012

I. Alkorta, J. Elguero, C. Roussel, N. Vanthuyne, P. Piras
Atropisomerism and Axial Chirality in Heteroaromatic Compounds
Adv. Heter. Chem. 105, 1-188 (2012)
DOI: 10.1016/B978-0-12-396530-1.00001-2

G. Sanchez-Sanz, C. Trujillo, I. Alkorta, J. Elguero
Intermolecular Weak Interactions in HTeXH Dimers (X=O, S, Se, Te): Hydrogen Bonds, Chalcogen-Chalcogen Contacts and Chiral Discrimination
ChemPhysChem, 13, 496-503 (2012)
DOI: 10.1002/cphc.201100830

2011

I. Alkorta, J. Elguero, P. F. Provasi, G.I. Pagola, M.B. Ferraro
Electric field effects on nuclear magnetic shielding of the 1:1 and 2:1 (homo and heterochiral) complexes of XOOX' (X, X' = H, CH3) with lithium cation and their chiral discrimination
J. Chem. Phys. 135, 104116 (2011)
DOI: 10.1063/1.3632086

I. Alkorta, G. Sanchez-Sanz, J. Elguero, C. Roussel
Rates of enantiomerization in axially chiral 2,2'-bipyridines with restricted rotation: an ab initio study
Tetahedron: Asymm. 22, 1180-1183 (2011)
DOI: 10.1016/j.tetasy.2011.06.010

N. Vanthuyne, C. Roussel, J. V. Naubron, N. Jagerovic, P. Morales Lazaro, I. Alkorta, J. Elguero
Determination of the absolute configuration of 1,3,5-triphenyl-4,5-dihydropyrazole enantiomers by a combination of VCD, ECD measurements, and theoretical calculations
Tetrahedron Asym. 22, 1120-1124 (2011).
DOI: 10.1016/j.tetasy.2011.06.003

I. Alkorta, J. Elguero, P. F. Provasi, M. B. Ferraro
Theoretical Study of the 1:1 and 2:1 (Homo- and Heterochiral) Complexes of XOOX' (X, X' = H, CH3) with Lithium Cation
J. Phys. Chem. A, 115, 7805-7810 (2011). DOI: 10.1021/jp202912n

2010

F. Blanco, I. Alkorta, I. Rozas, J. Elguero
Chiral recognition in self-complexes of diketopiperazine derivatives
J. Phys. Org. Chem. 23, 1155-1172 (2010)

J. E. Del Bene, I. Alkorta, J. Elguero
Do corresponding coupling constants in hydrogen-bonded homo- and hetero-chiral dimers differ?
Can. J. Chem. 88, 694-699 (2010)

I. Alkorta, F. Blanco, J. Elguero, D. Schroder
Distinction between homochiral and heterochiral dimers of 1-aza[n]helicenes (n = 1-7) with alkaline cations
Tet. Asymm. 21, 962-968 (2010)

2009

I. Alkorta, J. Elguero
"Chirality and Chiral Recognition" in Practical Aspects of Computational Chemistry
Ed. J. Leszczynski, M. K. Shukla, Springer, 2009.
DOI: 10.1007/978-90-481-2687-3_3
Read it on books.google.com

O. Picazo, I. Alkorta, J. Elguero, M.R. Sundberg, J. Valo, K. Zborowski
Chiral distinction in square planar Pt and Pd complexes of 2,2'-bipyridine derivatives
Struct. Chem. 20, 557-563 (2009)

D. H. O'Donovan, I. Rozas, F. Blanco, I. Alkorta, J. Elguero
Chiral recognition in bicyclic guanidines
Collect. Czech. Chem. Commun., 74, 299-312 (2009)

2008

M. Sánchez, M.B. Ferraro, I. Alkorta, J. Elguero, S.P.A. Sauer
Atomic partition of the optical rotatory power of methylhydroperoxide
J. Chem. Phys. 128, 064318 (2008).

P. Pérez-Faginas, I. Alkorta, M. T. García-López, R. González-Muñiz
From theoretical calculations to the enantioselective synthesis of a 1,3,4-trisubstituted Gly-derived 2-azetidinone
Tet. Lett. 49, 215-218 (2008)
Doi: 10.1016/j.tetlet.2007.11.099

2007

K. Zborowski, I. Alkorta , J. Elguero
A Theoretical Study of Chiral Recognition in Bis[amino(phenyl)methanol]chromium(0) Complexes
Polish J. Chem. 81, 621-629 (2007).

K. Zborowski, I. Alkorta, J. Elguero
Enantiodifferentiation in protonation processes: A theoretical study
Theochem, 811, 37-44 (2007).

I. Alkorta, J. Elguero, K. Zborowski
Chiral Recognition in Diaziridine Clusters and the Problem of Racemization Waves
J. Phys. Chem. A 111, 1096-1103 (2007)

O. Picazo, I. Alkorta, J. Elguero, M. R. Sundberg , J. Valo
Bonding Properties Related with Chiral Discrimination in Dinuclear Metal Complexes of Group 10
Eur. J. Inorg. Chem. 324-332 (2007)

2006

I. Rozas, I. Alkorta, J. Elguero
Stereoisomer Discrimination in Complexes of Halogen-Substituted Difuranes and Li or Na Cations
J. Phys. Chem. A 110, 13310-13316 (2006)

I. Alkorta, K. Zborowski, J. Elguero
Self-aggregation as a source of chiral discrimination
Chem. Phys. Lett. 427, 289-294 (2006).

O. Picazo, I. Alkorta, J. Elguero, M. R. Sundberg
Chiral discrimination in binuclear square planar metal complexes of group 10
Inorg. Chem. Comm. 9, 712-715 (2006)

K. Zborowski, I. Alkorta, J. Elguero
Effect of Dimerization and Racemization Processes on the Electron Density and the Optical Rotatory Power of Hydrogen Peroxide Derivatives
J. Phys. Chem. A, 110, 7247-7252 (2006).

I. Alkorta, O. Picazo, J. Elguero
Theoretical studies on Chiral Discrimination
Curr. Org. Chem. 10, 695-714 (2006)

I. Alkorta, J. Elguero
Chiral Recognition in Self-complexes of Tetrahydroimidazo[4,5-d]imidazole Derivatives: From Dimers to Heptamers
J. Phys. Chem. A 110, 2259 - 2268 (2006)

I. Alkorta, J. Elguero
An Atoms in Molecules analysis of the differences between meso and chiral forms of oxirane and cyclobutene derivatives
Chem. Phys. Lett. 417, 367-370 (2006)

2005

I. Alkorta, O. Picazo, J. Elguero
Chiral Discrimination in Lithium Complexes of Bis(5H-pyrroles) and Bis(oxazolines)
J. Phys. Chem. A 109, 9573-9577(2005)
Doi: 10.1021/jp053331c

O. Picazo, I. Alkorta, J. Elguero
Dimers of 1,8a-dihydro-1,8-naphthyridine derivatives as models of chiral self-recognition
Struct. Chem. 16, 339-345 (2005)
Doi: 10.1007/s11224-005-4464-7

K. Zborowski, L. M. Proniewicz, I. Alkorta, J. Elguero
Effect of HB complexation on the optical rotatory power of oxiranes
Chem. Phys. Lett. 409, 163-166 (2005)
Doi: 10.1016/j.cplett.2005.05.004

O. Picazo , I. Alkorta , J. Elguero, Otilia Mó , Manuel Yáñez
Chiral recognition in phosphinic acid dimers
J. Phys. Org. Chem. 18, 491-497 (2005)
doi: 10.1002/poc.901

I. Alkorta, O. Picazo, J. Elguero
Chiral Recognition in Cyclic alpha-Hydroxy Carbonyl Compounds: A Theoretical Study
J. Phys. Chem. A, 109, 3262-3266 (2005).
DOI: 10.1021/jp050479n

I. Alkorta, O. Picazo, J. Elguero
Effect of fluoro substituents and central atom nature on chiral derivatives of bisdiphenylborates and isoelectronic structures
Tet. Asym. 16, 755-760 (2005)
Doi: 10.1016/j.tetasy.2005.01.022

For reprints contact us:
ibon alkorta, jose elguero
Instituto de Quimica Medica (CSIC)
Juan de la Cierva, 3
28006-Madrid
Spain