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Temperature-induced release of crystal water in the Co, Mo and Pt complexes of N, N- diacetatedithiocarbamate. FTIR spectroscopy and quantum chemical study


Vojta, Danijela; Višnjevac, Aleksandar; Leka, Zorica; Kosović, Milica; Vazdar, Mario
Temperature-induced release of crystal water in the Co, Mo and Pt complexes of N, N- diacetatedithiocarbamate. FTIR spectroscopy and quantum chemical study // Journal of molecular structure, 1103 (2016), 245-253 doi:10.1016/j.molstruc.2015.09.038 (međunarodna recenzija, članak, znanstveni)


Naslov
Temperature-induced release of crystal water in the Co, Mo and Pt complexes of N, N- diacetatedithiocarbamate. FTIR spectroscopy and quantum chemical study

Autori
Vojta, Danijela ; Višnjevac, Aleksandar ; Leka, Zorica ; Kosović, Milica ; Vazdar, Mario

Izvornik
Journal of molecular structure (0022-2860) 1103 (2016); 245-253

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

Ključne riječi
Dithiocarbamates; crystal water; hydrogen bonds; IR spectroscopy; quantum chemical calculations

Sažetak
We describe temperature-induced water release from the complexes of triammonium N, N- diacetatedithiocarbamate (dadtc) with Co(III) (1), Mo(VI) (2) and Pt(II) (3), by the combination of temperature-dependent IR spectroscopy and quantum chemical calculations. Transmission IR spectra show that in the compounds 1 and 2, where water molecules are hydrogen-bonded with complex moieties, water release occurs at about 80 °C. In the compound 3 water most probably exist as non-hydrogen- bonded and remains within the sample above 100 °C. The influence of an inert salt in maintaining the water and consequently bringing up the artefacts in spectra is eliminated by recording the spectra in the internal reflection regime (ATR). Possible interplay of water release from the samples 1 and 2 and samples phase transition is presumed and indicated by the baseline analysis of temperature-dependent transmission IR spectra.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
098-0982904-2927 - Makrociklički ligandi, strukturne promjene otopina i molekularne spektroskopije (Goran Baranović, )
098-1191344-2943 - Protein-ligand međudjelovanja na atomnoj razini (Marija Luić, )

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


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