2026-05-07T08:02:37Zhttps://riubu.ubu.es/oai/request

oai:riubu.ubu.es:10259/47862022-04-29T12:02:45Zcom_10259_4363com_10259_5086com_10259_2604col_10259_4364

Rodríguez, María R. de4ee4ea-1aad-4fd7-b28a-22371fc05def 500 Plá, Julián del 1bd784cb-1600-4952-aa4b-8d9960598a11 500 Piro, Oscar Enrique d61bad4c-b7a0-4785-9eee-d1c6c98bbc1c 500 Echeverría, Gustavo A. 2b0d851a-016a-44ac-a770-0d6c895a9477 500 Espino Ordóñez, Gustavo 162 500 Pis Diez, Reinaldo dba891e7-f406-453b-9d51-6d4eb3d488cc 500 Parajón Costa, Beatriz S. 7ef5033b-87a2-4ee0-ac53-eddaa2d60800 500 González Baró, Ana C. 8193c5ec-ef8e-4c67-bbe5-31596f1fbeb2 500 2018-05-16T07:39:15Z 2018-08 2020-08 0022-2860 http://hdl.handle.net/10259/4786 10.1016/j.molstruc.2018.03.120 Two Schiff bases derived from o-vanillin (o-HVA), a well-known antioxidant hydroxo aldehyde, have been obtained from condensation with 2-thiophenecarboxilic acid hydrazide (TPNNH) and 2-thiophenemethylamine (TPNH2), respectively. The inclusion of thiophene is based on its significance in the development of effective therapeutic agents. The study of the compounds oVATPNNH and oVATPNH2 includes solid state structural and spectroscopic analysis by single-crystal X-ray diffraction and vibrational spectroscopy (FTIR and Raman). The crystal structure of oVATPNH2 shows a peculiar rotational disorder in the heterocycle. Tautomeric equilibria in solution, which depends on the molecule structure and the nature of the solvent, were analysed by means of 1H and 13C{1H} NMR along with electronic spectroscopy. Tautomerism plays an important role not only in the molecular interactions but also in the behaviour of the Schiff base when acting as a ligand in coordination compounds. Results obtained from DFT calculations were used in the interpretation of the experimental data and in the spectral assignments. CONICET and UNLP, Argentina and by Ministerio de Economía y Competitividad Español (CTQ2014-58812-C2-1-R, CTQ2015-70371-REDT) application/pdf eng Elsevier Journal of Molecular Structure. 2018, V. 1165, p. 381-390 https://doi.org/10.1016/j.molstruc.2018.03.120 info:eu-repo/grantAgreement/MINECO/CTQ2014-58812-C2-1-R info:eu-repo/grantAgreement/MINECO/CTQ2015-70371-REDT Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess Thiophene o-vanillin X-ray crystal structure Tautomerism Spectroscopy DFT Chemistry, Inorganic Química inorgánica Structure, tautomerism, spectroscopic and DFT study of o-vanillin derived Schiff bases containing thiophene ring info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion CC-LICENSE license_rdf license_rdf application/rdf+xml; charset=utf-8 805 https://riubu.ubu.es/bitstream/10259/4786/8/license_rdf 4460e5956bc1d1639be9ae6146a50347 MD5 8 THUMBNAIL Rodríguez-JMS_2018.pdf.jpg Rodríguez-JMS_2018.pdf.jpg IM Thumbnail image/jpeg 4461 https://riubu.ubu.es/bitstream/10259/4786/7/Rodr%c3%adguez-JMS_2018.pdf.jpg 545a1d0dd2078c57ba0801be1b7ff0e6 MD5 7 ORIGINAL Rodríguez-JMS_2018.pdf Rodríguez-JMS_2018.pdf application/pdf 2459637 https://riubu.ubu.es/bitstream/10259/4786/1/Rodr%c3%adguez-JMS_2018.pdf 9c44ec4d654ff836e1917b0adf4f42b9 MD5 1 LICENSE license.txt license.txt text/plain; charset=utf-8 998 https://riubu.ubu.es/bitstream/10259/4786/5/license.txt aa90105e1c90a1b4fe810649aa967b7d MD5 5 TEXT Rodríguez-JMS_2018.pdf.txt Rodríguez-JMS_2018.pdf.txt Extracted text text/plain 52685 https://riubu.ubu.es/bitstream/10259/4786/6/Rodr%c3%adguez-JMS_2018.pdf.txt 5dda19471f7c46b65e51a02f152aa59d MD5 6 10259/4786 oai:riubu.ubu.es:10259/4786 2022-04-29 14:02:45.91 Repositorio Institucional de la Universidad de Burgos bubrep@ubu.es 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