1. The Lennard-Jones (LJ) Potential, VL-J (R)=4d(Rσ)12−(Rσ)6∣+d. is used to approximate weak attractive interactions
Posted: Tue Jul 12, 2022 1:40 pm
1. The Lennard-Jones (LJ) Potential, VL-J (R)=4d(Rσ)12−(Rσ)6∣+d. is used to approximate weak attractive interactions between atoms that are not covalently bonded, like Arr.
(b) For Arr dimer, the LJ parameters are d=0.997 kJ/mol and σ=341pm. Calculate the equilibrium internuclear distance and the vibrational absorption frequency of an Arr dimer under the harmonic approximation, in wavenumbers (cm−1). (Hint: A vibrational transition is allowed only if Δv=±1.)
(b) For Arr dimer, the LJ parameters are d=0.997 kJ/mol and σ=341pm. Calculate the equilibrium internuclear distance and the vibrational absorption frequency of an Arr dimer under the harmonic approximation, in wavenumbers (cm−1). (Hint: A vibrational transition is allowed only if Δv=±1.)