Recognition in the domain of molecular chirality: from noncovalent interactions to separation of enantiomers

P Peluso, B Chankvetadze - Chemical Reviews, 2022 - ACS Publications
It is not a coincidence that both chirality and noncovalent interactions are ubiquitous in
nature and synthetic molecular systems. Noncovalent interactivity between chiral molecules …

The Size‐Accelerated Kinetic Resolution of Secondary Alcohols

B Pölloth, MP Sibi, H Zipse - Angewandte Chemie International …, 2021 - Wiley Online Library
The factors responsible for the kinetic resolution of alcohols by chiral pyridine derivatives
have been elucidated by measurements of relative rates for a set of substrates with …

On the question of steric repulsion versus noncovalent attractive interactions in chiral phosphoric acid catalyzed asymmetric reactions

S Tribedi, K Kitaura, T Nakajima… - Physical Chemistry …, 2021 - pubs.rsc.org
The origin of enantioselectivity in asymmetric catalysis is often built around the differential
steric interaction in the enantiocontrolling transition states (TSs). A closer perusal of …

First-Principles Characterization of Noncovalent Interactions in the Enantioselective Oxetane Ring Opening via SPHENOL-Based Chiral Phosphoric Acid Catalyst

M Khera, N Kaur, N Goel - The Journal of Organic Chemistry, 2024 - ACS Publications
The asymmetric ring-opening reaction of 3, 3-substituted oxetanes catalyzed by chiral
phosphoric acid (CPA) derived from a newly developed SPHENOL (2, 2′, 3, 3′-tetrahydro …

Computational Evaluation and Design of Polyethylene Zirconocene Catalysts with Noncovalent Dispersion Interactions

SM Maley, R Steagall, GR Lief, RM Buck, Q Yang… - …, 2022 - ACS Publications
Zirconocene catalysts are capable of inducing ethylene polymerization to generate a variety
of polyethylene polymers with the incorporation of a co-monomer into the growing …

Computational asymmetric catalysis: On the origin of stereoselectivity in catalytic reactions

S Singh, RB Sunoj - Advances in Physical Organic Chemistry, 2019 - Elsevier
Molecular understanding of chemical reactivity has become progressively better with the
advent of powerful computational methods. In the domain of computational catalysis, one …

[PDF][PDF] DFT and CBS Study of Ethyl Acetate Conformers in the Neutral Hydrolysis

M AHMAD, IRA PUSPITASARI, A AHMAD - Sains Malaysiana, 2022 - ukm.my
First-principles calculations are commonly used to search for possible transition states in
reaction kinetics studies, which are such a challenge to observe experimentally. However …

Die größenbeschleunigte kinetische Racematspaltung sekundärer Alkohole

B Pölloth, MP Sibi, H Zipse - Angewandte Chemie, 2021 - Wiley Online Library
Die Ursachen für die kinetische Racematspaltung von Alkoholen durch chirale
Pyridinderivate wurden untersucht. Dafür wurden relative Reaktionsgeschwindigkeiten für …

Revisiting prochirality

RS Ochs, TT Talele - Biochimie, 2020 - Elsevier
We propose a new model for prochirality that satisfies all known examples: the prochiral
plane. This plane contains the prochiral carbon and defines two separate faces for chemical …

Stereoselektivna priprava β, β-diaril-ketona s β-tetrasupstituiranim stereogenim centrom

M Matišić - 2022 - repozitorij.pmf.unizg.hr
Sažetak Metodologije priprave kiralnih β, β-diaril ketona temelje se uglavnom na arilacijama
1, 4-nezasićenih ketona u prisutnosti kiralnih kompleksa prijelaznih metala kao katalizatora …