Molecular clusters in gaseous and liquid AlCl3

Akdeniz Z., Oenem Z. , Ruberto R., Pastore G., Tosi M. P.

PHYSICS AND CHEMISTRY OF LIQUIDS, cilt.46, ss.1-8, 2008 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 46 Konu: 1
  • Basım Tarihi: 2008
  • Doi Numarası: 10.1080/00319100701658332
  • Dergi Adı: PHYSICS AND CHEMISTRY OF LIQUIDS
  • Sayfa Sayıları: ss.1-8

Özet

Motivated by results on molecular clusters formed from octahedral connectivity in NbF5 and by simulation and neutron diffraction studies of liquid AlCl3 and related materials, we discuss the gaseous n-mers of AlCl3 built from corner-sharing or edge-sharing tetrahedra. We use an interionic force-law model to evaluate the energetics of these clusters and examine their relevance to liquid structure near freezing and at higher temperatures as determined by means of classical molecular-dynamics simulation.