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Crystal structures of complexes of ammonium and potassium hexafluorophosphate with dibenzo-18-crown-6. Molecular mechanics studies on the uncomplexed macrocycle


Dapporto, Paolo; Paoli, Paola; Matijašić, Ivanka; Tušek-Božić, Ljerka
Crystal structures of complexes of ammonium and potassium hexafluorophosphate with dibenzo-18-crown-6. Molecular mechanics studies on the uncomplexed macrocycle // Inorganica chimica acta, 252 (1996), 1-2; 383-389 doi:10.1016/S0020-1693(96)05407-2 (međunarodna recenzija, članak, znanstveni)


Naslov
Crystal structures of complexes of ammonium and potassium hexafluorophosphate with dibenzo-18-crown-6. Molecular mechanics studies on the uncomplexed macrocycle

Autori
Dapporto, Paolo ; Paoli, Paola ; Matijašić, Ivanka ; Tušek-Božić, Ljerka

Izvornik
Inorganica chimica acta (0020-1693) 252 (1996), 1-2; 383-389

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

Ključne riječi
crystal structures ; molecular mechanics ; crown ion-pair complexes

Sažetak
Crown ether complexes formed by the dibenzo-18-crown-6 (DB18C6) macrocycle with ammonium and potassium hexafluorophosphate have been prepared and their crystal structure have been determined by single crystal X-ray analyses. The ammonium compound consists of a 2:1 mixture of NH_4(DB18C6)PF_6 and free DB18C6 ligand. The ammonium cation interacts with six oxygen atoms of the crown ether and with two fluorine atoms of a PF_6 anion. The potassium derivative consists of K(DB18C6)PF_6 units. The potassium atoms of the three independent complexes are linked to the six oxygen atoms of the DB18C6 ligand and to fluorine atoms of two PF_6 anions. Molecular mechanics calculations were performed on the uncomplexes DB18C6 molecule by using the MM2 force field.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
00980607
119407

Ustanove
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Zagreb

Citiraj ovu publikaciju

Dapporto, Paolo; Paoli, Paola; Matijašić, Ivanka; Tušek-Božić, Ljerka
Crystal structures of complexes of ammonium and potassium hexafluorophosphate with dibenzo-18-crown-6. Molecular mechanics studies on the uncomplexed macrocycle // Inorganica chimica acta, 252 (1996), 1-2; 383-389 doi:10.1016/S0020-1693(96)05407-2 (međunarodna recenzija, članak, znanstveni)
Dapporto, P., Paoli, P., Matijašić, I. & Tušek-Božić, L. (1996) Crystal structures of complexes of ammonium and potassium hexafluorophosphate with dibenzo-18-crown-6. Molecular mechanics studies on the uncomplexed macrocycle. Inorganica chimica acta, 252 (1-2), 383-389 doi:10.1016/S0020-1693(96)05407-2.
@article{article, year = {1996}, pages = {383-389}, DOI = {10.1016/S0020-1693(96)05407-2}, keywords = {crystal structures, molecular mechanics, crown ion-pair complexes}, journal = {Inorganica chimica acta}, doi = {10.1016/S0020-1693(96)05407-2}, volume = {252}, number = {1-2}, issn = {0020-1693}, title = {Crystal structures of complexes of ammonium and potassium hexafluorophosphate with dibenzo-18-crown-6. Molecular mechanics studies on the uncomplexed macrocycle}, keyword = {crystal structures, molecular mechanics, crown ion-pair complexes} }

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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