Abstract
Molecular complexes between glycolic acid and nitrogen were studied in a low-temperature argon matrix with FTIR spectroscopy, and supported by MP2 and BLYPD3 calculations. The calculations indicate 11 and 10 stable complex structures at the MP2 and BLYPD3 levels of theories, respectively. However, only one hydrogen-bonded complex structure involving the most stable SSC conformer of glycolic acid was found experimentally, where the nitrogen molecule is bound with the carboxylic OH group of the SSC conformer. The complex shows a rich site structure variation upon deposition of the matrix in different temperatures and upon annealing experiments, which provide interesting prospects for site-selective chemistry.
Highlights
Hydrogen bonding is a significant non-covalent interaction that plays an important role in many areas of biology and chemistry [1,2]
We present results of a combined study employing both both theoretical methods and FTIR matrix isolation studies on complexes formed between glycolic theoretical methods and FTIR matrix isolation studies on complexes formed between glycolic acid and acid and nitrogen molecule
The formation of an additional van der Waals contact with either of the two OH groups of the glycolic acid (GA) subunit strengthens the intermolecular interaction. When no such additional interaction appears, a typical hydrogen-bonded structure as found in SSC1 and GAC1 complexes is prevalent in analogy with previous carboxylic acid complexes with nitrogen molecules [42,43]
Summary
Hydrogen bonding is a significant non-covalent interaction that plays an important role in many areas of biology and chemistry [1,2]. The most stable conformer is the SSC form, which is stabilized by the O–H· · · O intramolecular hydrogen bond. This conformer is present in the gas phase and in low-temperature matrices with an estimated population. Molecules 2019, 24, 3262 intramolecular hydrogen bond This conformer is present in the gas phase and in low-temperature matrices with an estimated population at room temperature of ca. Nitrogen was found to form complexes with two GA conformers two GA conformers (SSC and AAT) in low temperature argon environment.
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