Pregled bibliografske jedinice broj: 946366
Deuterium Isotope Effects in 13C NMR Spectra of Mono- and Binuclear Aromatic Compounds
Deuterium Isotope Effects in 13C NMR Spectra of Mono- and Binuclear Aromatic Compounds // Adriatic NMR Conference 2018 : Book of abstracts / Bregović, Nikola ; Namjesnik, Danijel ; Novak, Predrag ; Pičuljan, Katarina (ur.).
Zagreb, 2018. str. 25-25 (plenarno, međunarodna recenzija, sažetak, znanstveni)
CROSBI ID: 946366 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Deuterium Isotope Effects in 13C NMR Spectra of
Mono- and Binuclear Aromatic Compounds
Autori
Smrečki, Vilko ; Novak, Predrag ; Vikić-Topić, Dražen ; Meić, Zlatko
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
Adriatic NMR Conference 2018 : Book of abstracts
/ Bregović, Nikola ; Namjesnik, Danijel ; Novak, Predrag ; Pičuljan, Katarina - Zagreb, 2018, 25-25
ISBN
978-953-6076-42-0
Skup
Adriatic NMR 2018
Mjesto i datum
Mali Ston, Hrvatska, 15.06.2018. - 17.06.2018
Vrsta sudjelovanja
Plenarno
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
deuterium isotope effects, NMR chemical shifts, binuclear aromatic compounds
Sažetak
Isotopic substitution produces changes in the reactivity of a molecule and causes a redistribution of molecular internal vibrational and rotational energy. In NMR, it causes changes in chemical shifts (nuclear shielding), coupling constants and relaxation times. The most studied by far are deuterium effects on nuclear shielding owing to the large fractional change in mass on isotopic substitution and relative ease of their determination from high resolution NMR spectra. The focus of this talk will be put to unsaturated systems containing one or two bridged phenyl groups where isotopic perturbation can be transmitted many bonds away from the isotope substitution site. The sign alternation and specific magnitudes of such long range isotope effects will be discussed in terms of subtle charge shifts throughout the molecule as a consequence of bond shortening upon isotopic substitution. Moreover, the linear correlation between long-range isotope effects and molecular torsional angle can serve as a conformational probe [1] for studied type of molecules. [1] P. Novak, D. Vikić Topić, V. Smrečki, and Z. Meić, Isotope Effects in NMR Spectra as a Structural Tool for Organic Molecules, in: Atta ur Rahman (Ed.), New Advances in Analytical Chemistry, Harwood Academic Publishers, Amsterdam, 2000, 135- 168.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Zagreb
