Accurate quantum chemical spectroscopic characterization of glycolic acid: a route toward its astrophysical detection
The first step to shed light on the abiotic synthesis of biochemical building blocks, and their
further evolution toward biological systems, is the detection of the relevant species in …
further evolution toward biological systems, is the detection of the relevant species in …
Harnessing the power of curvilinear internal coordinates: from molecular structure prediction to vibrational spectroscopy
M Mendolicchio - Theoretical Chemistry Accounts, 2023 - Springer
Different standard VPT2 codes employ Cartesian coordinates for the computation of
rotational and vibrational spectroscopic parameters. However, curvilinear internal …
rotational and vibrational spectroscopic parameters. However, curvilinear internal …
Conformational isomerizations triggered by vibrational excitation of second stretching overtones
Vibrational excitation using frequency-tunable IR laser light has been developed as a
powerful tool for selective manipulation of molecular conformations. In this methodology …
powerful tool for selective manipulation of molecular conformations. In this methodology …
Glycolic acid as a vibrational anharmonicity benchmark
Three energetically close pairs of vibrational states in glycolic acid are investigated by
Raman spectroscopy in a supersonic jet to provide challenging benchmarks for vibrational …
Raman spectroscopy in a supersonic jet to provide challenging benchmarks for vibrational …
[HTML][HTML] Experimental and theoretical investigation of hydrogen bonded complexes between glycolic acid and water
J Krupa, I Kosendiak, M Wierzejewska… - Spectrochimica Acta Part …, 2025 - Elsevier
Abstract Theoretical MP2 and B3LYPD3 calculations, as well as experimental matrix
isolation infrared spectroscopy studies, were used to investigate the 1: 1 complexes formed …
isolation infrared spectroscopy studies, were used to investigate the 1: 1 complexes formed …
UV laser induced photolysis of glycolic acid isolated in argon matrices
J Krupa, I Kosendiak, M Wierzejewska, J Ahokas… - … of Photochemistry and …, 2021 - Elsevier
The photochemistry of matrix-isolated glycolic acid, induced by UV light, was studied by
FTIR spectroscopy and B3LYPD3/6-311++ G (3df, 3pd) calculations. Several decomposition …
FTIR spectroscopy and B3LYPD3/6-311++ G (3df, 3pd) calculations. Several decomposition …
Complexes of glycolic acid with nitrogen isolated in argon matrices. I. Structures and thermal effects
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 …
argon matrix with FTIR spectroscopy, and supported by MP2 and BLYPD3 calculations. The …
Raman spectroscopy of glycolic acid complexes with N2
JME Ahokas, I Kosendiak, J Krupa… - Journal of Molecular …, 2019 - Elsevier
High overtone excitation induced conformational isomerization of glycolic acid–nitrogen
complex in an argon matrix was investigated by Raman spectroscopy. The interaction …
complex in an argon matrix was investigated by Raman spectroscopy. The interaction …
Light induced reactions in cryogenic matrices (highlights 2017–2018)
This chapter highlights research on light induced reactions taking place in cryogenic
matrices that has been reported during 2017 and 2018. Ultraviolet/visible or infrared …
matrices that has been reported during 2017 and 2018. Ultraviolet/visible or infrared …
Conformational-Dependent Photodissociation of Glycolic Acid in an Argon Matrix
Ultraviolet-induced photodissociation and photo-isomerization of the three most stable
conformers (SSC, GAC, and AAT) of glycolic acid are investigated in a low-temperature solid …
conformers (SSC, GAC, and AAT) of glycolic acid are investigated in a low-temperature solid …