Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Pressure induced orientational ordering in p-terphenyl.

N Arul Murugan1, S Yashonath

  • 1Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India.

The Journal of Physical Chemistry. B
|July 21, 2006
PubMed
Summary

Under pressure, p-terphenyl transitions from a nonplanar to a planar structure. This transformation, driven by changes in its potential energy profile, occurs between 1.0 and 1.5 GPa.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Searching for BBB permeable phytochemical inhibitors for targeting brain cancer associated HER2 protein through free energy calculations and pharmacokinetic analysis.

Scientific reports·2026
Same author

Corrigendum to <'Co-localization and co-expression of Olfml3 with Iba1 in brain of mice'> <[Journal of Neuroimmunology, 394 (2024) 1-12/578411]>.

Journal of neuroimmunology·2026
Same author

<i>In silico</i> screening of UM-C162 and UM-4E as potential inhibitors of <i>Staphylococcus aureus</i> virulence factors.

Journal of biomolecular structure & dynamics·2026
Same author

Inhibition of Phytophthora infestans chitin synthase via cyclic peptide targeting for sustainable disease control.

International journal of biological macromolecules·2026
Same author

Assessing the accuracy of binding pose prediction for kinase proteins and 7-azaindole inhibitors: a study with AutoDock4, Vina, DOCK 6, and GNINA 1.0.

RSC advances·2025
Same author

Artificial Intelligence and Machine Learning-Based Approaches for Genetic Damage Prediction.

Methods in molecular biology (Clifton, N.J.)·2025

Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • p-terphenyl is an organic molecule with potential applications in various fields.
  • Understanding its structural behavior under pressure is crucial for material design.
  • Existing models for p-terphenyl interactions require validation and refinement.

Purpose of the Study:

  • To model p-terphenyl's behavior under standard and high-pressure conditions.
  • To investigate the structural transformation from nonplanar to planar.
  • To elucidate the pressure-induced changes in its potential energy profile.

Main Methods:

  • Utilized three literature interaction potentials and a newly proposed model.
  • Validated the model against room-temperature crystal structure data.
  • Simulated p-terphenyl behavior under varying pressures.

Main Results:

  • The chosen model accurately predicts lattice parameters, aligning with X-ray diffraction data.
  • p-terphenyl transforms from a nonplanar to a planar structure with increasing pressure.
  • A W-shaped to U-shaped potential energy profile change occurs between 1.0 and 1.5 GPa, indicating planarization.

Conclusions:

  • The study successfully models p-terphenyl's pressure-induced structural transition.
  • The findings are consistent with experimental X-ray diffraction results and observations in similar polyphenyls.
  • The unique torsional motion at 1.0 GPa is explained by a flattening potential energy landscape during the transition.

Related Experiment Videos