Multifaceted view on the mechanism of a photochemical deracemization reaction

RJ Kutta, J Großkopf, N van Staalduinen… - Journal of the …, 2023 - ACS Publications
Upon irradiation in the presence of a chiral benzophenone catalyst (5 mol%), a racemic
mixture of a given chiral imidazolidine-2, 4-dione (hydantoin) can be converted almost …

Photochemical Deracemization of 3‐Substituted Oxindoles

J Großkopf, AA Heidecker, T Bach - Angewandte Chemie, 2023 - Wiley Online Library
Racemic 3‐substituted oxindoles were successfully converted into enantiomerically pure or
enriched material (up to 99% ee) upon irradiation at λ= 366 nm in the presence of a chiral …

Weak hydrogen bonds: insights from vibrational spectroscopic studies

P Banerjee, T Chakraborty - International Reviews in Physical …, 2018 - Taylor & Francis
The review presents a critical analysis of the data obtained from vibrational spectroscopic
studies on a narrow selection of weak hydrogen-bonded binary molecular complexes for …

Creating a Defined Chirality in Amino Acids and Cyclic Dipeptides by Photochemical Deracemization

J Großkopf, M Plaza, RJ Kutta… - Angewandte …, 2023 - Wiley Online Library
Diketopiperazines are cyclic dipeptides displaying a wide range of applications. Their
enantioselective preparation has now been found possible from the respective racemates by …

Structure, energy, vibrational spectrum, and Bader's analysis of π⋯ H hydrogen bonds and H− δ⋯ H+ δ dihydrogen bonds

BG de Oliveira - Physical Chemistry Chemical Physics, 2013 - pubs.rsc.org
In this paper, the intermolecular structural study asserted by the vibrational analysis in the
stretch frequencies of hydrogen bonds (π⋯ H) and dihydrogen bonds (H− δ⋯ H+ δ) have …

[HTML][HTML] FTIR-based serum structure analysis in molecular diagnostics of essential thrombocythemia disease

Z Guleken, Z Ceylan, A Aday, AG Bayrak… - … of Photochemistry and …, 2023 - Elsevier
Essential thrombocythemia (ET) reflects the transformation of a multipotent hematopoietic
stem cell, but its molecular pathogenesis remains obscure. Nevertheless, tyrosine kinase …

Atmospheric oxidation mechanism of phenol initiated by OH radical

C Xu, L Wang - The Journal of Physical Chemistry A, 2013 - ACS Publications
The gas-phase oxidation mechanism of phenol initiated by OH radical was investigated
using DFT and ab initio calculations. The initiation of the reaction is dominated by OH …

Surface‐Driven Keto–Enol Tautomerization: Atomistic Insights into Enol Formation and Stabilization Mechanisms

S Attia, MC Schmidt, C Schröder, P Pessier… - Angewandte …, 2018 - Wiley Online Library
Tautomerisation of simple carbonyl compounds to their enol counterparts on metal surfaces
is envisaged to enable an easier route for hydrogenation of the C= O bond in …

Keto–Enol Tautomerization as a First step in hydrogenation of carbonyl compounds

S Attia, MC Schmidt, C Schröder… - The Journal of …, 2019 - ACS Publications
Keto–enol tautomerization of carbonyl compounds to their enol form is theoretically
predicted to enable a low-barrier pathway for hydrogenation of normally very stable C═ O …

Formation and stabilization mechanisms of enols on Pt through multiple hydrogen bonding

S Attia, MC Schmidt, C Schröder… - ACS Catalysis, 2019 - ACS Publications
Lateral interactions between coadsorbed molecules on surfaces might trigger specific
reaction pathways and stabilize otherwise energetically unstable reaction intermediates …