R
Rosa M. Claramunt
Researcher at National University of Distance Education
Publications - 455
Citations - 7988
Rosa M. Claramunt is an academic researcher from National University of Distance Education. The author has contributed to research in topics: Tautomer & Nuclear magnetic resonance spectroscopy. The author has an hindex of 41, co-authored 449 publications receiving 7556 citations. Previous affiliations of Rosa M. Claramunt include Saint Petersburg State University & Complutense University of Madrid.
Papers
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Journal ArticleDOI
Crystal and molecular structure of three biologically active nitroindazoles
Pilar Cabildo,Rosa M. Claramunt,Concepción López,M. Ángeles García,Marta Pérez-Torralba,Elena Pinilla,M. Rosario Torres,Ibon Alkorta,José Elguero +8 more
TL;DR: In this article, the dihedral angles obtained in the crystal structures are in good agreement with the molecular parameters calculated using DFT B3LYP calculations employing the 6-311++G(d,p) basis set.
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The Structure of N-phenyl-pyrazoles and Indazoles: Mononitro, Dinitro, and Trinitro Derivatives
TL;DR: In this paper, a review of the heterocyclic family of N-nitrophenyl pyrazoles and indazoles covering mainly their structural aspects, with special emphasis on the X-ray diffraction data, is presented.
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Structure and conformation of a hetero-substituted cyclooctane
TL;DR: In this article, a cycle central a une conformation chaise is used to support the cristallise dans C2/c avec a=12.7119, b=6.9016, c=14.6312 A, β=105.755 °; affinement jusqu'a R=0.038.
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The origin of the splitting of 13C and 15N NMR signals of 3(5)-phenyl-5(3)-methylpyrazolium chloride and bromide in the solid state: Quantum Espresso calculations
Ibon Alkorta,Rosa M. Claramunt,José Elguero,Marta B. Ferraro,Julio C. Facelli,Patricio Federico Provasi,Felipe Reviriego +6 more
TL;DR: A combination of 13C and 15N CPMAS NMR spectroscopy and theoretical methods (DFT and DFT-D) was used to discuss the observation of large splittings affecting some atoms in 3(5)-phenyl-5(3)-methyl pyrazolium chloride and bromide as mentioned in this paper.
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Synthesis and structural characterization of pyrazol-1′-ylpyrazolo[1,5-a]pyrimidines by multinuclear NMR spectroscopy
TL;DR: In this paper, the structure of the reaction products 10a and b was established by analysis of high-resolution 1 H NMR spectra. Complete spectral analysis has been achieved utilizing ( 1 H-13 C) HMQC as well as (1 H- 13 C) and ( 1H- 15 N) HMBC experiments.