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Topic: Calculating harmonic frequency and the anharmonicity constant  (Read 2457 times)

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Offline mrdoovde1

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Calculating harmonic frequency and the anharmonicity constant
« on: August 19, 2014, 02:06:51 PM »
In an absorption spectrum, the following wavenumbers were measured for the vibronic transitions of a diatomic molecule. Determine the harmonic frequency and the anharmonicity constant (assume that all transitions start from the v" = 0 level of the ground state).
V'    Wavenumber/cm-1
0    35217
1    35633
2    36025
3    36025

Can someone tell me the formula I use and how to calculate this please

Thanks

Offline rwiew

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Re: Calculating harmonic frequency and the anharmonicity constant
« Reply #1 on: August 19, 2014, 03:06:30 PM »
You're going to have to show us some attempts at this question yourself first - let's start with the formula, how can we describe the system here?

Offline mrdoovde1

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Re: Calculating harmonic frequency and the anharmonicity constant
« Reply #2 on: August 19, 2014, 04:50:22 PM »
You're going to have to show us some attempts at this question yourself first - let's start with the formula, how can we describe the system here?

That's what I don't get. I don't know what formula to use.

Offline rwiew

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Re: Calculating harmonic frequency and the anharmonicity constant
« Reply #3 on: August 19, 2014, 05:13:23 PM »
OK, we'll start with the simplest model of a vibration - a harmonic oscillator (in this question we'll have to consider deviation from that model - hence you're being asked for an anharmonicity constant, but harmonic oscillator is a good starting point). I take you must have been taught about the quantum harmonic oscillator and its solutions - what's the formula for the energy level?

Offline mrdoovde1

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Re: Calculating harmonic frequency and the anharmonicity constant
« Reply #4 on: August 19, 2014, 06:00:32 PM »
OK, we'll start with the simplest model of a vibration - a harmonic oscillator (in this question we'll have to consider deviation from that model - hence you're being asked for an anharmonicity constant, but harmonic oscillator is a good starting point). I take you must have been taught about the quantum harmonic oscillator and its solutions - what's the formula for the energy level?

We haven't covered too much on it. This question was from a past exam paper I using for revision.

For your question I'm assuming it's: w x h-bar x (n + 1/2) ?

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