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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
by answerhappygod
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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.)