Measurement of the Population of Electrosprayed Deprotomers of Coumaric Acids Using UV–Vis Laser Photodissociation Spectroscopy
نویسندگان
چکیده
The measurement of deprotonation sites in multifunctional molecules following electrospray ionization is important to better inform a wide range spectroscopic and photophysical studies that use prepare molecular species for study the gas phase. We demonstrate low-resolution UV–vis laser photodissociation spectroscopy can be applied situ identify deprotomers three coumaric acids, trans-para-coumaric acid (CMA), trans-caffeic (CA), trans-ferulic (FA), formed via electrospray. Electronic absorption spectra deprotonated acids are recorded photodepletion photofragmentation from solutions ethanol acetonitrile. By comparing experimental wave function theory calculations, we able confirm presence phenoxide carboxylate upon all when sprayed both protic aprotic solvents. Ratios phenoxide:carboxylate obtained by generating summed theoretical reproduce spectra. find choice solvent has little effect on ratio CMA CA but greater impact FA. Our results excellent agreement with previous work conducted using IR UV electrosprayed ions potential as diagnostic tool identifying deprotomeric species.
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ژورنال
عنوان ژورنال: Journal of Physical Chemistry A
سال: 2021
ISSN: ['1089-5639', '1520-5215']
DOI: https://doi.org/10.1021/acs.jpca.1c04880