Vib rational a ssignment and structure of V anadyl a cetylacetonate: A density function al theore tical study

-diketo nes have a wide range of applications, which make attention in science. Vanadyl acetylace tonate (known as dipivaloylmethane), (VO(AA )۲), is used in organic c hemistry as a reagent in the epo xidation of allylic alcohols. VO(AA)۲ also exhibits ins ulin mimetic properties. The aim of present study is to compare the th eoretical and experime ntal results o n structure and vibrati onal analysis of VO(AA)۲.Method of analysis :The Geometries and vibrationa l frequencies calculations of the V O(AA)۲ we re performe d using GA USSIAN ۰۹ with B۳L YP using ۶-۳ ۱۱G(d) basis set.

کلیدواژه ها:

Vanadyl bis acetylac etonate ، Density Functional Theory ، Vibrationa l analysis ، oxobis(۲ ، ۴-pentanedionato)vana dium(IV)