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Pregled bibliografske jedinice broj: 600481

Observed bands in Raman and infrared spectra of 1, 3- dioxolane and their assignments


Mohaček Grošev, Vlasta; Furić, Krešimir; Ivanković, Hrvoje
Observed bands in Raman and infrared spectra of 1, 3- dioxolane and their assignments // Vibrational spectroscopy, 64 (2013), 101-107 doi:10.1016/j.vibspec.2012.11.007 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 600481 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Observed bands in Raman and infrared spectra of 1, 3- dioxolane and their assignments

Autori
Mohaček Grošev, Vlasta ; Furić, Krešimir ; Ivanković, Hrvoje

Izvornik
Vibrational spectroscopy (0924-2031) 64 (2013); 101-107

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

Ključne riječi
dioxolane; dioxolane/argon solid film; vibrational assignment; Raman; infrared; crystal; pseudorotation

Sažetak
We present a Raman study of liquid and polycrystalline dioxolane, together with data for a solid dioxolane/argon film. Observed bands are assigned to the bent conformer on the basis of ab initio calculated vibrations, accompanied with potential energy distribution. Two internal modes were calculated at 658 and 720 cm-1 for the bent form. These were observed at 665 and 722 cm-1 in liquid, and split into four bands (at 694, 697, 725, and 728 cm-1) in the crystal at 10 K. In the solid dioxolane/argon film an additional band appears at 705 cm-1 (between the bands at 675 and 726 cm-1). A search for an additional dioxolane conformer trapped in argon was undertaken, by performing molecular dynamics simulations of dioxolane/argon solid film and averaging over all molecular conformations. The resulting conformation did not correspond to an energy minimum, but indicated that changes of only a few degrees in dihedral angles could shift ring deformation and O-C-O bending modes for more than 10 cm-1. Differential scanning calorimetric measurements gave evidence of solidification upon cooling at 146 K, and two phase changes on heating (one at 158.3 K, and a melting transition at 180.3 K). Further study is required on the hysteresis effect in the temperature behavior of dioxolane, and on the nature of the intermediate solid phase.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija, Temeljne tehničke znanosti



POVEZANOST RADA


Projekti:
098-0982904-2898 - Fizika i primjena nanostruktura i volumne tvari (Ivanda, Mile, MZOS ) ( POIROT)
125-1252970-3005 - Biokeramički, polimerni i kompozitni nanostrukturirani materijali (Ivanković, Hrvoje, MZOS ) ( POIROT)

Ustanove:
Institut "Ruđer Bošković", Zagreb,
Fakultet kemijskog inženjerstva i tehnologije, Zagreb

Poveznice na cjeloviti tekst rada:

doi www.sciencedirect.com dx.doi.org

Citiraj ovu publikaciju:

Mohaček Grošev, Vlasta; Furić, Krešimir; Ivanković, Hrvoje
Observed bands in Raman and infrared spectra of 1, 3- dioxolane and their assignments // Vibrational spectroscopy, 64 (2013), 101-107 doi:10.1016/j.vibspec.2012.11.007 (međunarodna recenzija, članak, znanstveni)
Mohaček Grošev, V., Furić, K. & Ivanković, H. (2013) Observed bands in Raman and infrared spectra of 1, 3- dioxolane and their assignments. Vibrational spectroscopy, 64, 101-107 doi:10.1016/j.vibspec.2012.11.007.
@article{article, author = {Moha\v{c}ek Gro\v{s}ev, Vlasta and Furi\'{c}, Kre\v{s}imir and Ivankovi\'{c}, Hrvoje}, year = {2013}, pages = {101-107}, DOI = {10.1016/j.vibspec.2012.11.007}, keywords = {dioxolane, dioxolane/argon solid film, vibrational assignment, Raman, infrared, crystal, pseudorotation}, journal = {Vibrational spectroscopy}, doi = {10.1016/j.vibspec.2012.11.007}, volume = {64}, issn = {0924-2031}, title = {Observed bands in Raman and infrared spectra of 1, 3- dioxolane and their assignments}, keyword = {dioxolane, dioxolane/argon solid film, vibrational assignment, Raman, infrared, crystal, pseudorotation} }
@article{article, author = {Moha\v{c}ek Gro\v{s}ev, Vlasta and Furi\'{c}, Kre\v{s}imir and Ivankovi\'{c}, Hrvoje}, year = {2013}, pages = {101-107}, DOI = {10.1016/j.vibspec.2012.11.007}, keywords = {dioxolane, dioxolane/argon solid film, vibrational assignment, Raman, infrared, crystal, pseudorotation}, journal = {Vibrational spectroscopy}, doi = {10.1016/j.vibspec.2012.11.007}, volume = {64}, issn = {0924-2031}, title = {Observed bands in Raman and infrared spectra of 1, 3- dioxolane and their assignments}, keyword = {dioxolane, dioxolane/argon solid film, vibrational assignment, Raman, infrared, crystal, pseudorotation} }

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::


  • CA Search (Chemical Abstracts)


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