Electronic structure change at a phase transition in a polydiacetylene crystal

Z. Iqbal, R. R. Chance, R. H. Baughman

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


A Raman spectral study is reported for a polydiacetylene crystal with substituent group -(CH2)4OCONHC6H5. At low temperatures (<100K) or high pressures (>1.5kbar) a phase change occurs accompanied by changes in the electronic structure of the polymer backbone. The Raman evidence suggests that the high temperature phase is best described with a butatriene bonding sequence [opening parenthesis with horizontal barRC=C=C=CRclosing parenthesis with horizontal bar] while the low temperature (or high pressure) phase is best described with an acetylene bonding sequence [opening parenthesis with double horizontal barRC-C≡C-CRclosing parenthesis with double horizontal barn].

Original languageEnglish (US)
Pages (from-to)5520-5525
Number of pages6
JournalThe Journal of Chemical Physics
Issue number12
StatePublished - Jan 1 1977

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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