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Pregled bibliografske jedinice broj: 739425

Raman spectroscopic evidence of low temperature stability of D, L-glycolic and L-(+)-lactic acid crystals


Mohaček Grošev, Vlasta; Šoštarić, Vladimir; Maksimović, Aleksandar
Raman spectroscopic evidence of low temperature stability of D, L-glycolic and L-(+)-lactic acid crystals // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 140 (2015), 35-43 doi:10.1016/j.saa.2014.12.048 (međunarodna recenzija, članak, znanstveni)


Naslov
Raman spectroscopic evidence of low temperature stability of D, L-glycolic and L-(+)-lactic acid crystals

Autori
Mohaček Grošev, Vlasta ; Šoštarić, Vladimir ; Maksimović, Aleksandar

Izvornik
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (1386-1425) 140 (2015); 35-43

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

Ključne riječi
Glycolic acid; lactic acid; Raman; infrared; DFTB+; GULP; normal modes; phonons; temperature stability; biodegradable material

Sažetak
Raman and infrared spectra of polycrystalline D, L- glycolic and L-(+) lactic acid are presented and assigned both by an ab initio calculation of normal modes of free conformers and by selfconsistent- charge density-functional-theory computational program DFTB+. Temperature dependent Raman spectra from 295 K to 10 K reveal great stability of crystal lattices, since no soft modes and no band splittings that could be attributed to changes of the number of molecules per unit cell were observed. A semiempirical calculation with GULP program was used to estimate the strength of hydrogen bonds in crystals: in glycolic acid they have energies of -0.337 eV/mol, -0.329 eV/mol, -0.262 eV/mol and -0, 242 eV/mol, while in lactic acid two hydrogen bonds have energies of -0.283 eV/mol. and -0.202 eV/mol.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija



POVEZANOST RADA


Ustanove
Institut "Ruđer Bošković", Zagreb

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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