Conformational energy calculations have been performed on the isolated chain in the crystalline state of polyesters of the series having formula [−1,4-C6H4C(CH3)=N-N=C(CH3)−1,4-C6 H4OOC(CH2)n − 2COO-]x, with 8 < n < 12, showing nematic mesophases with odd-even effects. Maps of the conformational energy as a function of pairs of torsion angles in the flexible part of the chain show a number of low energy regions. Starting from the minima of the maps, the energy has been optimized with respect to all the torsion and bond angles in the flexible part of the chains. Only a few conformations resulting from the energy minimizations are compatible with the experimental c axes for each polymer of the series.

Conformational energy calculations on the crystalline state of mesogenic polyesters / R., Napolitano; Pirozzi, Beniamino; Tuzi, Angela. - In: EUROPEAN POLYMER JOURNAL. - ISSN 0014-3057. - STAMPA. - 24:(1988), pp. 103-107. [10.1016/0014-3057(88)90135-8]

Conformational energy calculations on the crystalline state of mesogenic polyesters.

PIROZZI, BENIAMINO;TUZI, ANGELA
1988

Abstract

Conformational energy calculations have been performed on the isolated chain in the crystalline state of polyesters of the series having formula [−1,4-C6H4C(CH3)=N-N=C(CH3)−1,4-C6 H4OOC(CH2)n − 2COO-]x, with 8 < n < 12, showing nematic mesophases with odd-even effects. Maps of the conformational energy as a function of pairs of torsion angles in the flexible part of the chain show a number of low energy regions. Starting from the minima of the maps, the energy has been optimized with respect to all the torsion and bond angles in the flexible part of the chains. Only a few conformations resulting from the energy minimizations are compatible with the experimental c axes for each polymer of the series.
1988
Conformational energy calculations on the crystalline state of mesogenic polyesters / R., Napolitano; Pirozzi, Beniamino; Tuzi, Angela. - In: EUROPEAN POLYMER JOURNAL. - ISSN 0014-3057. - STAMPA. - 24:(1988), pp. 103-107. [10.1016/0014-3057(88)90135-8]
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11588/482070
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus ND
  • ???jsp.display-item.citation.isi??? ND
social impact