Academic Journal
A static and dynamic NMR study of 10-hydrazino-BODIPY
| العنوان: | A static and dynamic NMR study of 10-hydrazino-BODIPY |
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| المؤلفون: | Reviriego, Felipe, Peña-Cabrera, Eduardo, Kokate, Siddhant V., Alkorta, Ibon, Elguero, José |
| المساهمون: | Comunidad de Madrid, Ministerio de Ciencia, Innovación y Universidades (España), Alkorta, Ibon, Elguero, José |
| بيانات النشر: | John Wiley & Sons |
| سنة النشر: | 2021 |
| المجموعة: | Digital.CSIC (Consejo Superior de Investigaciones Científicas / Spanish National Research Council) |
| مصطلحات موضوعية: | DFT calculations, dynamic NMR, GIAO, rotational barriers, SSCC |
| الوصف: | 10-Hydrazino-BODIPY, BoNHNH2, presents slow rotation about the C10–NH bond that results in anisochronous 1H and 13C NMR signals. The assignment of the different signals has been made using traditional two-dimensional methods as well as spin–spin coupling constants and confirmed by DFT calculations (B3LYP) using the 6-311++G(d,p) basis set. The rotational barrier has been determined in three pairs of proton signals and compared with the calculated barrier. ; Comunidad de Madrid, Grant/Award Number: P2018/EMT-4329 AIRTEC-CM; Consejo Nacional de Ciencia y Tecnología, Grant/Award Number: 253623, and 123732; DAIP, Grant/Award Number: 2020; Ministerio de Ciencia, Innovación y Universidades, Grant/Award Number: PGC2018-094644-B-C22 ; Peer reviewed |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| تدمد: | 1097-458X |
| Relation: | #PLACEHOLDER_PARENT_METADATA_VALUE#; info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-094644-B-C22; Publisher's version; https://doi.org/10.1002/mrc.5118; Sí; Magnetic Resonance in Chemistry 59 : 454–464 (2021); http://hdl.handle.net/10261/245073; http://dx.doi.org/10.13039/100012818 |
| DOI: | 10.1002/mrc.5118 |
| DOI: | 10.13039/100012818 |
| الاتاحة: | http://hdl.handle.net/10261/245073 https://doi.org/10.1002/mrc.5118 https://doi.org/10.13039/100012818 |
| Rights: | open |
| رقم الانضمام: | edsbas.8AA68C5A |
| قاعدة البيانات: | BASE |
| تدمد: | 1097458X |
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| DOI: | 10.1002/mrc.5118 |