The crystal structure of isotactic cis-1,4-poly(1,3-hexadiene) has been determined by the combined use of moleculr mechanics and X-ray diffraction. Models of crystal structure have been found by molecular mechanics calculations. The simulated fiber and powder diffraction spectra corresponding to these models have been compared with the experimental ones in order to find the best agreement. The proposed crystal structure is characterized by polymer chains having the s(2/1) symmetry packed in an orthorhombic unit cell, in the P212121 space group.
Determinazione della struttura cristallina del cis-1,4-poli(1,3-esadiene) isotattico mediante diffrazione ai raggi X e meccanica molecolare / Pirozzi, Beniamino; Napolitano, Roberto; G., Giusto; G., Ricci. - STAMPA. - (2007), pp. 89-90. (Intervento presentato al convegno XVIII Convegno Italiano di Scienza e Tecnologia delle Macromolecole tenutosi a Catania nel 16-20 settembre 2007).
Determinazione della struttura cristallina del cis-1,4-poli(1,3-esadiene) isotattico mediante diffrazione ai raggi X e meccanica molecolare
PIROZZI, BENIAMINO;NAPOLITANO, ROBERTO;
2007
Abstract
The crystal structure of isotactic cis-1,4-poly(1,3-hexadiene) has been determined by the combined use of moleculr mechanics and X-ray diffraction. Models of crystal structure have been found by molecular mechanics calculations. The simulated fiber and powder diffraction spectra corresponding to these models have been compared with the experimental ones in order to find the best agreement. The proposed crystal structure is characterized by polymer chains having the s(2/1) symmetry packed in an orthorhombic unit cell, in the P212121 space group.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
