Optoelectronic Response to the Fluor Ion Bond on 4-(4,4,5,5-Tetramethyl-1,3,2-dioxoborolan-2-yl)benzaldehyde.
UV-vis
density functional theory
infrared spectroscopy
nuclear magnetic resonance
Journal
International journal of molecular sciences
ISSN: 1422-0067
Titre abrégé: Int J Mol Sci
Pays: Switzerland
ID NLM: 101092791
Informations de publication
Date de publication:
03 May 2024
03 May 2024
Historique:
received:
19
02
2024
revised:
08
04
2024
accepted:
11
04
2024
medline:
11
5
2024
pubmed:
11
5
2024
entrez:
11
5
2024
Statut:
epublish
Résumé
Boronate esters are a class of compounds containing a boron atom bonded to two oxygen atoms in an ester group, often being used as precursors in the synthesis of other materials. The characterization of the structure and properties of esters is usually carried out by UV-visible, infrared, and nuclear magnetic resonance (NMR) spectroscopic techniques. With the aim to better understand our experimental data, in this article, the density functional theory (DFT) is used to analyze the UV-visible and infrared spectra, as well as the isotropic shielding and chemical shifts of the hydrogen atoms
Identifiants
pubmed: 38732218
pii: ijms25095000
doi: 10.3390/ijms25095000
pii:
doi:
Substances chimiques
Benzaldehydes
0
Fluorine
284SYP0193
Boron
N9E3X5056Q
Esters
0
Ions
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Agencia Nacional de Investigación y Desarrollo
ID : SA77210040
Organisme : DIUFRO
ID : DI23-0026