Tautomeric equilibria in relation to pi-electron delocalization

ED Raczyńska, W Kosińska, B Ośmiałowski… - Chemical …, 2005 - ACS Publications
Tautomerism, a particular case of isomerism, plays an important role in modern organic
chemistry, biochemistry, medicinal chemistry, pharmacology, molecular biology, and life …

IR-induced and tunneling reactions in cryogenic matrices: the (incomplete) story of a successful endeavor

R Fausto, GO Ildiz, CM Nunes - Chemical Society Reviews, 2022 - pubs.rsc.org
In this article, IR-induced and tunneling-driven reactions observed in cryogenic matrices are
described in a historical perspective, the entangling of the two types of processes being …

Methylhydroxycarbene: Tunneling control of a chemical reaction

PR Schreiner, HP Reisenauer, D Ley, D Gerbig… - Science, 2011 - science.org
Chemical reactivity is conventionally understood in broad terms of kinetic versus
thermodynamic control, wherein the decisive factor is the lowest activation barrier among the …

Size-Dependent Sigmoidal Reaction Kinetics for Pyruvic Acid Condensation at the Air–Water Interface in Aqueous Microdroplets

M Li, C Boothby, RE Continetti… - Journal of the American …, 2023 - ACS Publications
The chemistry of pyruvic acid (PA) under thermal dark conditions is limited in bulk solutions,
but in microdroplets it is shown to readily occur. Utilizing in situ micro-Raman spectroscopy …

Infrared spectra of pyrazine, pyrimidine and pyridazine in solid argon

S Breda, ID Reva, L Lapinski, MJ Nowak… - Journal of Molecular …, 2006 - Elsevier
The vibrational spectra of monomeric diazines (pyrazine, pyrimidine and pyridazine)
isolated in solid argon and of the neat crystalline phase of these compounds, at 10K, are …

CC/DFT route toward accurate structures and spectroscopic features for observed and elusive conformers of flexible molecules: pyruvic acid as a case study

V Barone, M Biczysko, J Bloino, P Cimino… - Journal of chemical …, 2015 - ACS Publications
The structures and relative stabilities as well as the rotational and vibrational spectra of the
three low-energy conformers of pyruvic acid (PA) have been characterized using a state-of …

Missing conformers. Comparative study of conformational cooling in cyanoacetic acid and methyl cyanoacetate isolated in low temperature inert gas matrixes

ID Reva, SG Stepanian, L Adamowicz, R Fausto - Chemical physics letters, 2003 - Elsevier
A comparative conformational study of two related systems, methyl cyanoacetate (MCA) and
cyanoacetic acid (CAA), is presented. Ab initio calculations predicted that both systems have …

Conformational Switching in Pyruvic Acid Isolated in Ar and N2 Matrixes: Spectroscopic Analysis, Anharmonic Simulation, and Tunneling

I Reva, CM Nunes, M Biczysko… - The Journal of Physical …, 2015 - ACS Publications
Monomers of pyruvic acid (PA) isolated in cryogenic argon and nitrogen matrixes were
characterized by mid-and near-infrared spectroscopy. Interpretation of the experiments was …

Infrared Reflection–Absorption Spectroscopy of α-Keto Acids at the Air–Water Interface: Effects of Chain Length and Headgroup on Environmentally Relevant …

AM Deal, AE Smith, KM Oyala… - The Journal of …, 2023 - ACS Publications
A variety of organic surfactants are found at air–water interfaces in natural environments,
including on the surfaces of aqueous aerosols. The structure and morphology of these …

Dynamics of vibrational overtone excited pyruvic acid in the gas phase: Line broadening through hydrogen-atom chattering

K Takahashi, KL Plath, RT Skodje… - The Journal of Physical …, 2008 - ACS Publications
The dynamics of overtone-excited pyruvic acid (PA) is studied using a combination of
experimental and theoretical methods. It is experimentally observed that high overtone …