a quest for the origin of barrier to the internal rotation ofhydrogen peroxide (h2o2) and fluorine peroxide (f2o2)追求的起源障碍内部旋转ofhydrogen过氧化(过氧化氢)和氟过氧化(f2o2).pdfVIP

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a quest for the origin of barrier to the internal rotation ofhydrogen peroxide (h2o2) and fluorine peroxide (f2o2)追求的起源障碍内部旋转ofhydrogen过氧化(过氧化氢)和氟过氧化(f2o2).pdf

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a quest for the origin of barrier to the internal rotation ofhydrogen peroxide (h2o2) and fluorine peroxide (f2o2)追求的起源障碍内部旋转ofhydrogen过氧化(过氧化氢)和氟过氧化(f2o2)

Int. J. Mol. Sci. 2006, 7, 289-319 International Journal of Molecular Sciences ISSN 1422-0067 © 2006 by MDPI /ijms/ A Quest for the Origin of Barrier to the Internal Rotation of Hydrogen Peroxide (H O ) and Fluorine Peroxide (F O ) 2 2 2 2 Dulal C. Ghosh Department of Chemistry, University of Kalyani, Kalyani-741235, India Email: dcghosh1@, Fax: +91-33 Received: 2 July 2006 / Accepted: 24 July 2006 / Published: 25 August 2006 Abstract: In order to understand the structure-property relationship, SPR, an energy- partitioning quest for the origin of the barrier to the internal rotation of two iso-structural molecules, hydrogen peroxide, H O , and fluorine peroxide, F O is performed. The 2 2 2 2 hydrogen peroxide is an important bio-oxidative compound generated in the body cells to fight infections and is an essential ingredient of our immune system. The fluorine peroxide is its analogue. We have tried to discern the interactions and energetic effects that entail the nonplanar skew conformation as the equilibrium shape of the molecules. The physical process of the dynamics of internal rotation initiates the isomerization reaction and generates infinite number of c