Electronic structure change at a phase transition in a polydiacetylene crystal

Z. Iqbal; R. R. Chance; R. H. Baughman

doi:10.1063/1.433873

Electronic structure change at a phase transition in a polydiacetylene crystal

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

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80 Scopus citations

Abstract

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 bar_n].

Original language	English (US)
Pages (from-to)	5520-5525
Number of pages	6
Journal	The Journal of Chemical Physics
Volume	66
Issue number	12
DOIs	https://doi.org/10.1063/1.433873
State	Published - 1977
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Electronic structure change at a phase transition in a polydiacetylene crystal",

abstract = "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].",

author = "Z. Iqbal and Chance, {R. R.} and Baughman, {R. H.}",

year = "1977",

doi = "10.1063/1.433873",

language = "English (US)",

volume = "66",

pages = "5520--5525",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

number = "12",

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TY - JOUR

T1 - Electronic structure change at a phase transition in a polydiacetylene crystal

AU - Iqbal, Z.

AU - Chance, R. R.

AU - Baughman, R. H.

PY - 1977

Y1 - 1977

N2 - 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].

AB - 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].

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DO - 10.1063/1.433873

M3 - Article

AN - SCOPUS:0000706020

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VL - 66

SP - 5520

EP - 5525

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 12

ER -

Electronic structure change at a phase transition in a polydiacetylene crystal

Abstract

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