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Pregled bibliografske jedinice broj: 74469

ENDOR study of the chlorinated thiocytosine radical in a crystal matrix


Herak, Janko N.; Sanković, Krešimir; Hole, Eli O.; Sagstuen, Einar
ENDOR study of the chlorinated thiocytosine radical in a crystal matrix // Phisical Chemistry Chemical Physics, 3 (2001), 4926-4931 (međunarodna recenzija, članak, znanstveni)


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Naslov
ENDOR study of the chlorinated thiocytosine radical in a crystal matrix

Autori
Herak, Janko N. ; Sanković, Krešimir ; Hole, Eli O. ; Sagstuen, Einar

Izvornik
Phisical Chemistry Chemical Physics (1463-9076) 3 (2001); 4926-4931

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
cytosine hydrochloride; ENDOR; EPR; free radicals; thiocytosine

Sažetak
ENDOR-HCl Interaction of protons with the unpaired electron in the sigma2sigma*1 three-electron S-Cl bond has been investigated by electron-nuclear-double resonance (ENDOR) spectroscopy. The S-Cl bond in the chlorinated thiocytosine radical, imbedded in the crystal lattice of cytosine hydrochloride, interacts significantly with at least seven protons. Five of these interactions have been analyzed. From the nature of the coupling tensors, it is concluded that three couplings are due to protons being constituents of the chlorine-thiocytosine radical, and the remaining two are due to protons belonging to neighboring cytosine molecules. The nature of the dipolar component of the coupling tensors is not consistent with the location of the entire electron spin density in the S-Cl bond. From isotropic as well as anisotropic hyperfine coupling tensor components, it is concluded that the unpaired electron is somewhat delocalized over the radical, with a major portion being concentrated in the C(2)-S-Cl region but with a significant fraction occupying a pi* molecular orbital extending over the cytosine ring atoms. DFT molecular orbital calculations support such kind of spin distribution. The data also suggest that the radical remains protonated at both the N(1) and N(3) positions.

Izvorni jezik
Engleski

Znanstvena područja
Dentalna medicina



POVEZANOST RADA


Projekti:
006110

Ustanove:
Farmaceutsko-biokemijski fakultet, Zagreb

Profili:

Avatar Url Krešimir Sanković (autor)

Avatar Url Janko Herak (autor)


Citiraj ovu publikaciju

Herak, Janko N.; Sanković, Krešimir; Hole, Eli O.; Sagstuen, Einar
ENDOR study of the chlorinated thiocytosine radical in a crystal matrix // Phisical Chemistry Chemical Physics, 3 (2001), 4926-4931 (međunarodna recenzija, članak, znanstveni)
Herak, J., Sanković, K., Hole, E. & Sagstuen, E. (2001) ENDOR study of the chlorinated thiocytosine radical in a crystal matrix. Phisical Chemistry Chemical Physics, 3, 4926-4931.
@article{article, year = {2001}, pages = {4926-4931}, keywords = {cytosine hydrochloride, ENDOR, EPR, free radicals, thiocytosine}, journal = {Phisical Chemistry Chemical Physics}, volume = {3}, issn = {1463-9076}, title = {ENDOR study of the chlorinated thiocytosine radical in a crystal matrix}, keyword = {cytosine hydrochloride, ENDOR, EPR, free radicals, thiocytosine} }
@article{article, year = {2001}, pages = {4926-4931}, keywords = {cytosine hydrochloride, ENDOR, EPR, free radicals, thiocytosine}, journal = {Phisical Chemistry Chemical Physics}, volume = {3}, issn = {1463-9076}, title = {ENDOR study of the chlorinated thiocytosine radical in a crystal matrix}, keyword = {cytosine hydrochloride, ENDOR, EPR, free radicals, thiocytosine} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


Uključenost u ostale bibliografske baze podataka:


  • Chemical Abstracts





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