M
M. Dolores Santa María
Researcher at National University of Distance Education
Publications - 19
Citations - 563
M. Dolores Santa María is an academic researcher from National University of Distance Education. The author has contributed to research in topics: Tautomer & Chemical shift. The author has an hindex of 11, co-authored 19 publications receiving 548 citations. Previous affiliations of M. Dolores Santa María include University of Warwick.
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Journal ArticleDOI
New ultraviolet stabilizers: 3- and 5-(2'-hydroxyphenyl)pyrazoles
Javier Catalán,Fernando Fabero,Rosa M. Claramunt,M. Dolores Santa María,M. de la Concepcion Foces-Foces,Felix H. Cano,Martín Martínez-Ripoll,José Elguero,R. Sastre +8 more
TL;DR: In this article, a new class of ultraviolet stabilizers, C-(2'-hydroxyphenyl)pyrazoles, is described, in which there is an intramolecular hydrogen bond (IMHB).
Journal ArticleDOI
Quantifying weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl: a combined computational and experimental investigation of NMR chemical shifts in the solid state.
Anne-Christine Uldry,John M. Griffin,Jonathan R. Yates,Marta Pérez-Torralba,M. Dolores Santa María,Amy L. Webber,Maximus Llewelyn Beaumont,Ago Samoson,Rosa M. Claramunt,Chris J. Pickard,Steven P. Brown +10 more
TL;DR: Weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl, for which single-crystal diffraction structures reveal close CH...O=C and C[triple bond]CH...N[triples bond]C distances, is investigated in a study that combines the experimental determination of 1H, 13C, and 15N chemical shifts by magic-angle spinning NMR with first-principles calculations using plane-wave basis sets
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Multiple hydrogen bonds and tautomerism in naphthyridine derivatives
Carmen Alvarez-Rúa,Santiago García-Granda,Shyamaprosad Goswami,Reshmi Mukherjee,Swapan Dey,Rosa M. Claramunt,M. Dolores Santa María,Isabel Rozas,Nadine Jagerovic,Ibon Alkorta,José Elguero +10 more
TL;DR: In this article, the behavior of three 2,7-disubstituted 1,8-naphthyridines able to exhibit tautomerism has been studied by NMR in solution and in two cases in the solid state.
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Structure and tautomerism of 4-bromo substituted 1H-pyrazoles
Swiatoslav Trofimenko,Glenn P. A. Yap,Fernando Jove,Rosa M. Claramunt,M. Ángeles García,M. Dolores Santa María,Ibon Alkorta,José Elguero +7 more
TL;DR: The tautomerism in the solid state and in solution of five 4-bromo-1H-pyrazoles has been studied by multinuclear magnetic resonance spectroscopy and, for one of them, by X-ray crystallography.
Journal ArticleDOI
Molecular recognition: improved binding of biotin derivatives with synthetic receptors.
TL;DR: NMR titrations and Monte Carlo conformational searches have been used to study the molecular recognition features of five urea derivatives with two synthetic hosts and the largest binding constant of a complex involving a biotin derivative bound to a synthetic host is measured.