title: Thermochromatism and structural evolution of metastable polydiacetylenic crystals.
abstract: Topochemically polymerized sodium 10,12-pentacosadiynoate (PCDA-Na) microcrystals show an irreversible red-to-blue chromatic transition accompanied by a distinct structural evolution upon initial thermal treatment, and show a subsequent completely reversible blue-to-red chromatic transition upon further thermal stimuli. Visible absorption spectroscopy, X-ray diffraction (XRD), and differential scanning calorimetry (DSC) are used to investigate the thermochromatic transition behavior of the polydiacetylenic microcrystals. Brief quantum mechanical geometry optimization is employed to explain the lattice dimensional change during the irreversible red-to-blue chromatic transition of the metastable polydiacetylenic crystals.
authors.affiliation: Department of Chemical and Biomolecular Engineering, Tulane University, New Orleans, Louisiana 70118, USA.
authors.forename: Jiebin
authors.initials: J
authors.lastname: Pang
authors.forename: Lu
authors.initials: L
authors.lastname: Yang
authors.forename: Byron F
authors.initials: BF
authors.lastname: McCaughey
authors.forename: Huisheng
authors.initials: H
authors.lastname: Peng
authors.forename: Henry S
authors.initials: HS
authors.lastname: Ashbaugh
authors.forename: C Jeffrey
authors.initials: CJ
authors.lastname: Brinker
authors.forename: Yunfeng
authors.initials: Y
authors.lastname: Lu
mesh_terms: D000480:Alkynes / Q000737:chemistry*; D002152:Calorimetry, Differential Scanning; D003460:Crystallization; D004563:Electrochemistry; D007202:Indicators and Reagents; D009682:Magnetic Resonance Spectroscopy; D013056:Spectrophotometry, Ultraviolet; D013816:Thermodynamics; D014961:X-Ray Diffraction
chemical_list: D000480:Alkynes; D007202:Indicators and Reagents; C521275:poly(10,12-pentacosadiynoate sodium)