Naslov
NMR IN THE ELUCIDATION OF REACTION MECHANISMS

Autori
Dean Marković

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Adriatic NMR / Danijel Namjesnik, Predrag Novak, Jelena Parlov Vuković - Zagreb : Prirodoslovno-matematički fakultet Sveučilišta u Zagrebu, 2019, 38-38

ISBN
978-9536076-56-7

Skup
Adriatic NMR Conference

Mjesto i datum
Ston, Hrvatska, 06.06.2019. - 09.06.2019

Vrsta sudjelovanja
Pozvano predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
NMR, Mechanistic studies, isotope effects, in silico methods

Sažetak
Nuclear magnetic resonance is one of the most useful and versatile spectroscopic technique used in chemistry. NMR spectroscopy has become the preeminent technique to determine the structures and conformations of organic compounds. This technique is also one of the principal tools to decipher reaction mechanisms. NMR has been successfully used to elucidate reaction mechanisms through the identification of the reaction intermediates and products and their interaction with catalysts, isotopic labeling and kinetic effects, as well as reaction kinetics and catalyst activation, inhibition and deactivation or conformational analysis of active sites. Most complete mechanistic information could be obtained through the combination of NMR with computational methods. In this talk will be covered the examples of employment of NMR in the correction of known mechanisms, rational design of catalysts, development of new reactions, the characterization of reaction intermediates, isotopic labeling and effects, scrambling experiments and kinetics.

Izvorni jezik
Engleski

POVEZANOST RADA