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Pregled bibliografske jedinice broj: 464159

Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cations

Mohaček Grošev, Vlasta; Foretić, Blaženka; Gamulin, Ozren
Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cations // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 78 (2011), 5; 1376-1379 doi:10.1016/j.saa.2011.01.012 (međunarodna recenzija, članak, znanstveni)

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Naslov
Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cations

Autori
Mohaček Grošev, Vlasta ; Foretić, Blaženka ; Gamulin, Ozren

Izvornik
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (1386-1425) 78 (2011), 5; 1376-1379

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

Ključne riječi
1-methyl-pyridinium-2-aldoxime chloride ; 1-methyl-pyridinium-4-aldoxime chloride ; normal coordinate analysis ; infrared ; Raman ; antidote

Sažetak
Pyrimidinium aldoximes are administered in cases of acute organophosphate poisoning. Since questions regarding their morphology and active conformation in the solid state are still open, an effort was made to establish correspondence between their structure and vibrational spectra. Normal coordinate analysis including the potential energy distribution for all modes was performed for 1-methyl-pyridinium-2-aldoxime (PAM2AN) and 1-methyl-pyridinium-4-aldoxime (PAM4AN) cations (charge = +e, spin = 0). Positions of infrared and Raman bands of corresponding chloride salts agree rather well with predicted values, except for modes taking part in hydrogen bonding to anions. The strength of hydrogen bonding is estimated to be of medium strength in both salts, the bonding in PAM2AN being stronger.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija



POVEZANOST RADA

Projekti:
098-0982904-2898 - Fizika i primjena nanostruktura i volumne tvari (Ivanda, Mile, MZOS ) ( CroRIS)
108-1080134-3105 - Mehanizmi narušavanja strukture lipoproteina djelovanjem vanjskih čimbenika (Gamulin, Ozren, MZOS ) ( CroRIS)
108-1193079-3070 - Kompleksi željeza i biološki aktivnih liganada (Foretić, Blaženka, MZOS ) ( CroRIS)

Ustanove:
Institut "Ruđer Bošković", Zagreb,
Medicinski fakultet, Zagreb

Profili:

Avatar Url Vlasta Mohaček Grošev (autor)

Avatar Url Blaženka Foretić (autor)

Avatar Url Ozren Gamulin (autor)

Poveznice na cjeloviti tekst rada:

Pristup cjelovitom tekstu rada doi doi.org www.sciencedirect.com

Citiraj ovu publikaciju:

Mohaček Grošev, Vlasta; Foretić, Blaženka; Gamulin, Ozren
Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cations // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 78 (2011), 5; 1376-1379 doi:10.1016/j.saa.2011.01.012 (međunarodna recenzija, članak, znanstveni)
Mohaček Grošev, V., Foretić, B. & Gamulin, O. (2011) Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 78 (5), 1376-1379 doi:10.1016/j.saa.2011.01.012.
@article{article, author = {Moha\v{c}ek Gro\v{s}ev, Vlasta and Foreti\'{c}, Bla\v{z}enka and Gamulin, Ozren}, year = {2011}, pages = {1376-1379}, DOI = {10.1016/j.saa.2011.01.012}, keywords = {1-methyl-pyridinium-2-aldoxime chloride, 1-methyl-pyridinium-4-aldoxime chloride, normal coordinate analysis, infrared, Raman, antidote}, journal = {Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy}, doi = {10.1016/j.saa.2011.01.012}, volume = {78}, number = {5}, issn = {1386-1425}, title = {Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cations}, keyword = {1-methyl-pyridinium-2-aldoxime chloride, 1-methyl-pyridinium-4-aldoxime chloride, normal coordinate analysis, infrared, Raman, antidote} }
@article{article, author = {Moha\v{c}ek Gro\v{s}ev, Vlasta and Foreti\'{c}, Bla\v{z}enka and Gamulin, Ozren}, year = {2011}, pages = {1376-1379}, DOI = {10.1016/j.saa.2011.01.012}, keywords = {1-methyl-pyridinium-2-aldoxime chloride, 1-methyl-pyridinium-4-aldoxime chloride, normal coordinate analysis, infrared, Raman, antidote}, journal = {Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy}, doi = {10.1016/j.saa.2011.01.012}, volume = {78}, number = {5}, issn = {1386-1425}, title = {Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cations}, keyword = {1-methyl-pyridinium-2-aldoxime chloride, 1-methyl-pyridinium-4-aldoxime chloride, normal coordinate analysis, infrared, Raman, antidote} }

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
  • MEDLINE

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  • CA Search (Chemical Abstracts)

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