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A static and dynamic NMR study of 10-hydrazino-BODIPY
- Source :
- Digital.CSIC: Repositorio Institucional del CSIC, Consejo Superior de Investigaciones Científicas (CSIC), Digital.CSIC. Repositorio Institucional del CSIC, instname
- Publication Year :
- 2020
-
Abstract
- 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.<br />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
- Subjects :
- Coupling constant
Proton
010405 organic chemistry
Chemistry
General Chemistry
GIAO
Carbon-13 NMR
010402 general chemistry
DFT calculations
01 natural sciences
rotational barriers
Rotational barrier
0104 chemical sciences
chemistry.chemical_compound
SSCC
Slow rotation
Physical chemistry
Anisochronous
General Materials Science
dynamic NMR
BODIPY
Basis set
Subjects
Details
- ISSN :
- 1097458X
- Volume :
- 59
- Issue :
- 4
- Database :
- OpenAIRE
- Journal :
- Magnetic resonance in chemistry : MRCREFERENCES
- Accession number :
- edsair.doi.dedup.....d09f7318006d50758a4785f41fd7c122