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Pregled bibliografske jedinice broj: 289786

Hydrogen-bonding interactions in some benzopyranopyridine esters


Novak, Predrag; Žiher, Dinko; Gabelica, Vesna; Kovaček, Damir; Ivezić, Zrinka
Hydrogen-bonding interactions in some benzopyranopyridine esters // XXV European Congress on Molecular Spectroscopy (EUCMOS XXV)
Coimbra, Portugal, 2000. (poster, nije recenziran, sažetak, znanstveni)


Naslov
Hydrogen-bonding interactions in some benzopyranopyridine esters

Autori
Novak, Predrag ; Žiher, Dinko ; Gabelica, Vesna ; Kovaček, Damir ; Ivezić, Zrinka

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

Skup
XXV European Congress on Molecular Spectroscopy (EUCMOS XXV)

Mjesto i datum
Coimbra, Portugal, 27.08.-01.09.2000

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
Coumarin; benzopyranopyridine; hydrogen bond

Sažetak
Weak interatomic interactions, such as hydrogen bonds, play a dominant role in many chemical and biochemical processes. Hydrogen bonds in four different molecules of benzopyranopyridine esters (Fig.1), which exert their antibacterial activity by inhibiting DNA gyrase, [1-3] have been investigated by means of NMR and IR spectroscopy and quantum chemical calculations. All NMR spectra were recorded in DMSO-d6 solution while IR spectra were recorded in DMSO solution and solid state. Quantum chemical calculations were performed at the semi-empirical level using PM3 Hamiltonian. Significant changes in vibrational frequencies, NMR chemical shifts and calculations have pointed toward the formation of different interactions in solid state and solution. In compound 2 the observed tautomeric equilibrium is slow on the NMR time scale and is governed by strong intramolecular hydrogen bonds.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Ustanove
Prehrambeno-biotehnološki fakultet, Zagreb,
Pliva-Istraživački institut