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)
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
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