Hi,
I compared 1,4-pentadiene and 1,3-pentadiene using UFF geometry optimization. 1,3 gives energy 2.8351307 and 1.4 gives lower energy of 2.7028027. I would expect 1,3-isomer to give lower energy due to double bonds conjugation… Any comments ?
Hi,
I compared 1,4-pentadiene and 1,3-pentadiene using UFF geometry optimization. 1,3 gives energy 2.8351307 and 1.4 gives lower energy of 2.7028027. I would expect 1,3-isomer to give lower energy due to double bonds conjugation… Any comments ?