Average Structures oft‐Butyl Chloride and 9D‐t‐Butyl Chloride Determined by Gas‐Phase Electron Diffraction

摘要: The structure of t‐butyl chloride has been determined by electron diffraction. results obtained are in good agreement with the previous determination Momany, Bonham, and Druelinger. This is shown to be consistent microwave rotational constants Lide Jen spite fact that rg distance for C–Cl bond (1.828±0.005 A) quite different from rs (1.803±0.002 A). remaining structural parameters were C–C (1.528 A), C–H (1.102 A), ∠ ClCC (107.3o), ∠ CCH(110.8o), ∠CCC (111.6o), ∠ HCH (108.1o). A simultaneous investigation deuterated species suggests slight secondary isotope effects on C–C (ΔC–C=0.0010±0.0007‐A) C–Cl (ΔC–Cl=0.0010±0.0015‐A) distances. Observed mean amplitudes vibration found values calculated harmonic force field Huttner Zeil.