Self-healing polymer coatings are an emerging class of smart materials. Upon mechanical damage the material properties may be restored by self-healing, which can be triggered externally, e.g., by an increased temperature. An alternative approach relies on embedding capsules with repair agents into the polymers, the rupture of which is induced by the mechanical damage, and the release of the repair agents triggers the self-repair reaction. The work at hand presents in situ Raman spectroscopic investigations on the reaction dynamics in such self-healing polymer coatings. Analysis of the Raman spectra allows one to assign specific Raman bands characteristic for the progress of the self-healing reaction.
BinderW.H., editor. Self-Healing Polymers. From Principles to Applications. Weinheim, Germany: Wiley-VCH, 2013. Pp. 440.
2.
HagerM.D.GreilP.LeyensC.van der ZwaagS.SchubertU.S.“Self-Healing Materials”. Adv. Mater.2010. 22: 5424–5430.
3.
WoolR.P.“Self-Healing Materials: A Review”. Soft Matter.2008. 4: 400–418.
4.
SyrettJ.A.BecerC.R.HaddletonD.M.“Self-Healing and Self-Mendable Polymers”. Polym. Chem.2010. 1(7): 978–987.
5.
WilsonG.O.Magnus AnderssonH.WhiteS.R.SottosN.R.MooreJ.S.BraunP.V.“Self-Healing Polymers”. Encyclopedia of Polymer Science and Technology. J. Wiley and Sons, 2010. Pp. 1–33.
DöhlerD.MichaelP.BinderW.H.“Autocatalysis in the Room Temperature Copper(I)-Catalyzed Alkyne-Azide ‘Click’ Cycloaddition of Multivalent Poly(acrylate)s and Poly(Isobutylene)s”. Macromolecules.2012. 45(8): 3335–3345.
LeeC.YangW.ParrR.G.“Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density”. Phys. Rev. B: Condens. Matter Mater. Phys.1988. 37(2): 785–789.
22.
MiehlichB.SavinA.StollH.PreussH.“Results Obtained with the Correlation Energy Density Functionals of Becke and Lee, Yang and Parr”. Chem. Phys. Lett.1989. 157(3): 200–206.
23.
YanaiT.TewD.HandyN.“A New Hybrid Exchange-Correlation Functional Using the Coulomb-Attenuating Method (CAM-B3LYP)”. Chem. Phys. Lett.2004. 393(1–3), 51–57.
24.
PerdewJ.P.“Unified Theory of Exchange and Correlation Beyond the Local Density Approximation”. In: ZiescheP.EschrigH., editors. Electronic Structure of Solids '91. Berlin, Germany: Akademie Verlag, 1991. Vol. 17. Pp. 11–20.
25.
PerdewJ.P.ChevaryJ.A.VoskoS.H.JacksonK.A.PedersonM.R.SinghD.J.FiolhaisC.“Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation”. Phys. Rev. B: Condens. Matter Mater. Phys.1992. 46(11): 6671–6687.
26.
PerdewJ.P.ChevaryJ.A.VoskoS.H.JacksonK.A.PedersonM.R.SinghD.J.FiolhaisC.“Erratum: Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation”. Phys. Rev. B: Condens. Matter Mater. Phys.1993. 48: 4978.
27.
BurkeK.PerdewJ.P.ErnzerhofM.“Mixing Exact Exchange with GGA: When to Say When”. In: DobsonJ.F.VignaleG.DasM.P., editors. Electronic Density Functional Theory. New York, USA: Plenum Press, 1998.
28.
DitchfieldR.HehreW.J.PopleJ.A.“Self-Consistent Molecular Orbital Methods. IX. An Extended Gaussian Type Basis for Molecular Orbital Studies of Organic Molecules”. J. Chem. Phys.1971. 54: 724–728.
29.
McLeanA.D.ChandlerG.S.“Contracted Gaussian Basis Sets for Molecular Calculations. I. Second Row Atoms, Z=11-18”. J. Chem. Phys.1980. 72: 5639–5648.
30.
KrishnanR.BinkleyJ.S.SeegerR.PopleJ.A.“Self-Consistent Molecular Orbital Methods. XX. A Basis Set for Correlated Wave Functions”. J. Chem. Phys.1980. 72: 650–654.
31.
FrischM.J.PopleJ.A.BinkleyJ.S.“Self-Consistent Molecular Orbital Methods 25. Supplementary Functions for Gaussian Basis Sets”. J. Chem. Phys.1984. 80(7): 3265–3269.
32.
ClarkT.ChandrasekharJ.SpitznagelG.W.SchleyerP. v. R.“Efficient Diffuse Function-Augmented Basis Sets for Anion Calculations. III. The 3-21+G Basis Set for First-Row Elements, Li-F”. J. Comput. Chem.1983. 4(3): 294–301.
33.
DunningT.H.Jr.“Gaussian Basis Sets for Use in Correlated Molecular Calculations. I. The Atoms Boron Through Neon and Hydrogen”. J. Chem. Phys.1989. 90: 1007–1023.
34.
KendallR.A.DunningT. H.Jr.HarrisonR.J.“Electron Affinities of the First-Row Atoms Revisited. Systematic Basis Sets and Wave Functions”. J. Chem. Phys.1992. 96(9): 6796–6806.
35.
WoonD.E.DunningT.H.Jr.“Gaussian Basis Sets for Use in Correlated Molecular Calculations. III. The Atoms Aluminum Through Argon”. J. Chem. Phys.1993. 98: 1358–1371.
36.
MerrickJ.P.MoranD.RadomL.J.“An Evaluation of Harmonic Vibrational Frequency Scale Factors”. J. Phys. Chem. A.2007. 111: 11683–11700.
37.
TabataH.FujiiM.HayashiS.DoiT.WakabayashiT.“Raman and Surface-Enhanced Raman Scattering of a Series of Size-Separated Polyynes”. Carbon.2006. 44(15): 3168–3176.
38.
YamakoshiH.DodoK.OkadaM.AndoJ.PalonponA.FujitaK.KawataS.SodeokaM.“Imaging of EdU, an Alkyne-Tagged Cell Proliferation Probe, by Raman Microscopy”. J. Am. Chem. Soc.2011. 133(16): 6102–6105.
39.
WeeksT.Wachsmann-HogiuS.HuserT.“Raman Microscopy based on Doubly-Resonant Four-Wave Mixing (DR-FWM)”. Opt. Express.2009. 17(19): 17044–17051.
40.
SocratesG.SocratesG.Infrared and Raman Characteristic Group Frequencies: Tables and Charts. Chichester, UK: J. Wiley and Sons Ltd, 2001. 3rd ed.
41.
Lin-VienD.ColthupN.B.FateleyW.G.GrasselliJ.G.The Handbook of Infrared and Raman Characteristics Frequencies of Organic Molecules. Boston, USA: Academic Press, 1991.
42.
JbarahA.A.IhleA.BanertK.HolzeR.“The Electrosorption of 1,2,3-Triazole on Gold as Studied with Surface-Enhanced Raman Spectroscopy”. J. Raman Spectrosc.2006. 37(1–3), 123–131.
43.
TaylorM.J.Scott BohleD.RiethmillerS.“Raman Spectra and Vibrational Assignments of the Molecular Adducts PhnPH3-nGaCl3 (n=1-3)”. J. Raman Spectrosc.1984. 15(6): 393–395.
44.
LalS.Diez-GonzalezS.“[CuBr(PPh3)3] for Azide-Alkyne Cycloaddition Reactions Under Strict Click Conditions”. J. Org. Chem.2011. 76: 2367–2373.
