A theoretical and experimental NMR study of BODIPY 493/503: difluoro{2-[1-(3,5-dimethyl-2H-pyrrol-2-ylidene-N)ethyl]-3,5-dimethyl-1H-pyrrolato-N}boron
Magn Reson Chem
.
2016 Aug;54(8):684-8.
doi: 10.1002/mrc.4438.
Epub 2016 May 1.
Authors
María Luisa Jimeno
1
,
María Teresa Benito
1
,
Elisa García Doyagüez
1
,
Rosa M Claramunt
2
,
Dionisia Sanz
2
,
Marta Marín-Luna
3
,
Ibon Alkorta
3
,
José Elguero
3
Affiliations
1
Centro de Química Orgánica 'Lora-Tamayo', CSIC, Juan de la Cierva, 3, E-28006, Madrid, Spain.
2
Departamento de Química Orgánica y Bio-Orgánica, Facultad de Ciencias, UNED, Paseo Senda del Rey, 9, E-28040, Madrid, Spain.
3
Instituto de Química Médica, CSIC, Juan de la Cierva, 3, E-28006, Madrid, Spain.
PMID:
27133002
DOI:
10.1002/mrc.4438
No abstract available
Keywords:
B3LYP; BODIPY; CASTEP; CPMAS.
Publication types
Research Support, Non-U.S. Gov't