STRUCTURAL PHASE-TRANSITIONS AND MOLECULAR MODELING IN BUTYLENE DIAMMONIUM LEAD TETRACHLORIDE

Authors
FOURATI N ABID Y KAMOUN S DAOUD A DEPMEIER W
Citation
N. Fourati et al., STRUCTURAL PHASE-TRANSITIONS AND MOLECULAR MODELING IN BUTYLENE DIAMMONIUM LEAD TETRACHLORIDE, Annales de chimie, 23(1-2), 1998, pp. 181-185
Citations number
15
Categorie Soggetti
Chemistry,"Material Science
Journal title
Annales de chimie → ACNP
ISSN journal
01519107
Volume
23
Issue
1-2
Year of publication
1998
Pages
181 - 185
Database
ISI
SICI code
0151-9107(1998)23:1-2<181:SPAMMI>2.0.ZU;2-1
Abstract
Differential scanning calorimetry and X-ray diffraction studies perfor med on perovskite type layer compound NH3(CH2)(n)NH3MCl4 reveal a seco nd order phase transition near 200 K. This transition is of order - di sorder type and involves mainly the conformational motions of the orga nic chain. Different conformations of the chain NH3(CH2)(4)NH3 have be en tentatively calculated by molecular modeling. Suprisingly, among th e five minimized and selected conformations three conformations were i dentified with the observed ones in the structures of NH3(CH2)(4)NH3MC l4 M = Pb, Cd and Mn.