Phase transition in the molecular crystal structure of Langmuir-Blodgett film containing pyrrole: Molecular mechanics simulations

Seimei Shiratori, Takesi Nishikawa, Kohei Yokoi

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

We studied, by atomic force microscopy (AFM), the changes in the molecular arrangement of arachidic acid (C20) Langmuir-Blodgett (LB) film with increasing quantity of pyrrole (Py) molecules which we used as spacer molecules for C20 molecules in the LB film. When the concentration of Py molecules in the C20 LB film was increased from 0% to 150%, the crystal structure of the LB film changed as follows: oblique lattice→hexagonal lattice→square lattice. These observations agreed qualitatively with the results of computer simulation based on molecular mechanics. Precise control of the crystal structure of LB film by adjusting the number of spacer molecules such as Py in the LB film is possible.

Original languageEnglish
JournalJapanese Journal of Applied Physics, Part 2: Letters
Volume35
Issue number11 PART A
Publication statusPublished - 1996 Nov 1

Fingerprint

Molecular crystals
Molecular mechanics
Langmuir Blodgett films
pyrroles
Langmuir-Blodgett films
Molecular structure
Crystal structure
Phase transitions
crystal structure
Molecules
simulation
molecules
spacers
Atomic force microscopy
computerized simulation
adjusting
atomic force microscopy
acids
Acids
Computer simulation

Keywords

  • Arachidic acid
  • Atomic force microscopy
  • Computer simulation
  • Crystal structure
  • Langmuir-Blodgett film
  • Molecular mechanics
  • Phase transition
  • Pyrrole

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

Cite this

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abstract = "We studied, by atomic force microscopy (AFM), the changes in the molecular arrangement of arachidic acid (C20) Langmuir-Blodgett (LB) film with increasing quantity of pyrrole (Py) molecules which we used as spacer molecules for C20 molecules in the LB film. When the concentration of Py molecules in the C20 LB film was increased from 0{\%} to 150{\%}, the crystal structure of the LB film changed as follows: oblique lattice→hexagonal lattice→square lattice. These observations agreed qualitatively with the results of computer simulation based on molecular mechanics. Precise control of the crystal structure of LB film by adjusting the number of spacer molecules such as Py in the LB film is possible.",
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AU - Yokoi, Kohei

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N2 - We studied, by atomic force microscopy (AFM), the changes in the molecular arrangement of arachidic acid (C20) Langmuir-Blodgett (LB) film with increasing quantity of pyrrole (Py) molecules which we used as spacer molecules for C20 molecules in the LB film. When the concentration of Py molecules in the C20 LB film was increased from 0% to 150%, the crystal structure of the LB film changed as follows: oblique lattice→hexagonal lattice→square lattice. These observations agreed qualitatively with the results of computer simulation based on molecular mechanics. Precise control of the crystal structure of LB film by adjusting the number of spacer molecules such as Py in the LB film is possible.

AB - We studied, by atomic force microscopy (AFM), the changes in the molecular arrangement of arachidic acid (C20) Langmuir-Blodgett (LB) film with increasing quantity of pyrrole (Py) molecules which we used as spacer molecules for C20 molecules in the LB film. When the concentration of Py molecules in the C20 LB film was increased from 0% to 150%, the crystal structure of the LB film changed as follows: oblique lattice→hexagonal lattice→square lattice. These observations agreed qualitatively with the results of computer simulation based on molecular mechanics. Precise control of the crystal structure of LB film by adjusting the number of spacer molecules such as Py in the LB film is possible.

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