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  • Gas phase reactions of trimethyl borate with phosphates and their non-covalent complexes.

Gas phase reactions of trimethyl borate with phosphates and their non-covalent complexes.

Journal of the American Society for Mass Spectrometry (2002-09-27)
Scott Gronert, Richard A J O'Hair
ABSTRACT

Using a quadrupole ion trap mass spectrometer, trimethyl borate was allowed to react with dihydrogen phosphate, deprotonated O-phosphoserine, and a set of hydrogen bonded complexes involving dihydrogen phosphate and neutral acids (phosphoric acid, acetic acid, serine, and O-phosphoserine). The reactions show a consistent pattern in which the initial attack leads to addition with the loss of one or two CH3OH molecules. Collision-activated dissociation (CAD) experiments on the reaction products generally lead to the loss of an additional CH3OH molecule. In no case is a partner from the original hydrogen-bonded complex lost. The results indicate that the reactions lead to structures where the phosphate and its complex partner are covalently bound to the boron. For each of the reactions, rate constants were determined. In the course of CAD experiments (up to MS5), several novel borophosphate structures were identified. The work is supported by ab initio calculations on selected species.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Trimethyl borate, purum, ≥99.0% (GC)
Sigma-Aldrich
Trimethyl borate, 99.999% (trace metal basis)
Sigma-Aldrich
Trimethyl borate, purified by redistillation, ≥99.5%
Sigma-Aldrich
Trimethyl borate, ≥98%