Fluorin subfield placement.a thEretical study

Replacing the fluoride c5 and c6 istaead of hydrogen using the theoretical level of Hf tand B3LYP with the baselevel 6-311++G** it has been investigated and parameters such as dipolemomentum, vibrating freq encieshighest homo molecular orbital and Lomo largest molecular orbital occupied. Fluorin as a substitute forhydrogen causesa change in the length of the transplant.

کلیدواژه ها:

B3LYP/6_311++G** ، full erene homo Lomo oxygen ، dipolemoment