- #1
BRN
- 108
- 10
Hi guys! I need your help!
1. Homework Statement
Use the function of Lennard-Jones V (R) = ε [(σ / R)12 - (σ / R)6] as model for the adiabatic potential energy in function of the separation between the 11B boron and nitrogen nuclei 14N. You determine the parameters ε and σ to reproduce the spectroscopic values of the vibrational quantum, ν = 1514.6 cm-1, and the separation of 1,666 cm-1 between the lines of rotational BN molecule.
[/B]
I have
ΔErot=ħ2/I=1.666 cm-1=3.3091*10-23 J ⇒ I=ħ2/ΔErot=3.3603*10-46 Kgm2
and
R0=√(I/μ)=1.8125*10-10 m
At this point, I calculating the minimum oh the potential:
V(0)=∂V(R)/∂R =0 ⇒ R06=2σ6 ⇒ σ=6√(R06/2)=1.6147*10-10 m
For ε, I calculating k by:
k=∂2V(R)/∂R2=6σ6εR-14(26σ6-7R6)
but here I'm lost...
Who can help me? Please!
1. Homework Statement
Use the function of Lennard-Jones V (R) = ε [(σ / R)12 - (σ / R)6] as model for the adiabatic potential energy in function of the separation between the 11B boron and nitrogen nuclei 14N. You determine the parameters ε and σ to reproduce the spectroscopic values of the vibrational quantum, ν = 1514.6 cm-1, and the separation of 1,666 cm-1 between the lines of rotational BN molecule.
The Attempt at a Solution
[/B]
I have
ΔErot=ħ2/I=1.666 cm-1=3.3091*10-23 J ⇒ I=ħ2/ΔErot=3.3603*10-46 Kgm2
and
R0=√(I/μ)=1.8125*10-10 m
At this point, I calculating the minimum oh the potential:
V(0)=∂V(R)/∂R =0 ⇒ R06=2σ6 ⇒ σ=6√(R06/2)=1.6147*10-10 m
For ε, I calculating k by:
k=∂2V(R)/∂R2=6σ6εR-14(26σ6-7R6)
but here I'm lost...
Who can help me? Please!