Intermolecular interaction and vibrational spectra at fumed silica particles/silicone polymer interface

A microscopic view on the interface formed by fumed silica particle and silicone polymers is suggested basing on a combined study that involves quantum-chemical (QCh) calculations and vibrational spectroscopic experiment. The former were performed for model clusters simulating a real 'area of contact' on the interface. Vibrational spectra were obtained for commercial products. Calculated vibrational spectra, obtained for model clusters by using force constants determined in due course of the QCh study, provided a quite perfect linkage between the QCh results and experimental spectra. This makes the suggested QCh microscopic description highly reliable.

Authors
Editors
-
Publisher
-
Number of issue
5-6
Language
English
Pages
419-437
Status
Published
Department
-
Number
-
Volume
5
Year
2003
Organizations
  • 1 General Physics Department, Russ. Peoples' Friendship University, ul.Ordjonikidze 3, 117923 Moscow, Russian Federation
Keywords
Adsorption; Intermolecular interaction; Quantum-chemical simulations; Silica nanoparticles; Silicone polymers; Vibrational spectra
Date of creation
19.10.2018
Date of change
19.10.2018
Short link
https://repository.rudn.ru/en/records/article/record/2/