Int. J. Mol. Sci. 2012, 13(12), 15925-15941; doi:10.3390/ijms131215925
Article

Spectral Inverse Quantum (Spectral-IQ) Method for Modeling Mesoporous Systems: Application on Silica Films by FTIR

1 Institute of Chemistry Timisoara of the Romanian Academy, 24 Mihai Viteazul Bld, Timişoara, RO-300223, Romania 2 Laboratory of Computational and Structural Physical Chemistry, Biology-Chemistry Department, West University of Timişoara, Pestalozzi Street No.16, Timişoara, RO-300115, Romania
* Author to whom correspondence should be addressed.
Received: 26 September 2012; in revised form: 19 November 2012 / Accepted: 22 November 2012 / Published: 28 November 2012
(This article belongs to the Special Issue Atoms in Molecules and in Nanostructures)
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Abstract: The present work advances the inverse quantum (IQ) structural criterion for ordering and characterizing the porosity of the mesosystems based on the recently advanced ratio of the particle-to-wave nature of quantum objects within the extended Heisenberg uncertainty relationship through employing the quantum fluctuation, both for free and observed quantum scattering information, as computed upon spectral identification of the wave-numbers specific to the maximum of absorption intensity record, and to left-, right- and full-width at the half maximum (FWHM) of the concerned bands of a given compound. It furnishes the hierarchy for classifying the mesoporous systems from more particle-related (porous, tight or ionic bindings) to more wave behavior (free or covalent bindings). This so-called spectral inverse quantum (Spectral-IQ) particle-to-wave assignment was illustrated on spectral measurement of FT-IR (bonding) bands’ assignment for samples synthesized within different basic environment and different thermal treatment on mesoporous materials obtained by sol-gel technique with n-dodecyl trimethyl ammonium bromide (DTAB) and cetyltrimethylammonium bromide (CTAB) and of their combination as cosolvents. The results were analyzed in the light of the so-called residual inverse quantum information, accounting for the free binding potency of analyzed samples at drying temperature, and were checked by cross-validation with thermal decomposition techniques by endo-exo thermo correlations at a higher temperature.
Keywords: particle-wave quantum ratio; sol-gel synthesis; FT-IR spectra; TO4 IR absorption band; ionic liquid-like cosurfactants

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MDPI and ACS Style

Putz, A.-M.; Putz, M.V. Spectral Inverse Quantum (Spectral-IQ) Method for Modeling Mesoporous Systems: Application on Silica Films by FTIR. Int. J. Mol. Sci. 2012, 13, 15925-15941.

AMA Style

Putz A-M, Putz MV. Spectral Inverse Quantum (Spectral-IQ) Method for Modeling Mesoporous Systems: Application on Silica Films by FTIR. International Journal of Molecular Sciences. 2012; 13(12):15925-15941.

Chicago/Turabian Style

Putz, Ana-Maria; Putz, Mihai V. 2012. "Spectral Inverse Quantum (Spectral-IQ) Method for Modeling Mesoporous Systems: Application on Silica Films by FTIR." Int. J. Mol. Sci. 13, no. 12: 15925-15941.

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