The Molecular Structure of 1,2‐Dichloropropane

摘要: Under the assumption of V([open phi])=V_0[1—cos([open phi]—[open phi]_0)] / 2 for potential hindering internal rotation, visual interpretation electron‐diffraction pattern leads to results (best values and estimated limits error): C–Cl, 1.79±0.035A; C···Cl, 2.715±0.025A; C–C, 1.56A (range: 1.49–1.60A); ∠C–C–Cl, 108±4°; |[open phi]_0| ≤ 30° (i.e., essentially trans in chlorine atoms), with a small positive value [open phi]0 (increasing CH_3···Cl primary ) most likely; V 0≥4 kcal/mole. The best V_0 ranges from 10 kcal/mole phi]0=0° 30–40 phi]_ 0 = 25°. diffraction is almost indifferently compatible fractions ranging up 50 percent skew‐isomer phi]_0 ∼ 120° sufficiently low V_0, but consideration dipole moment data provides some further evidence on its structure while showing fraction present be about 20 an upper limit 30 percent.