Conversion

Chromatography Forum: LC Archives: Conversion
Top of pagePrevious messageNext messageBottom of pageLink to this message  By Anonymous on Wednesday, October 8, 2003 - 07:46 am:

I dont know whether this is possible or not any way i am making a request here.
(HPLC)I measured some chromatographical measurement in the UV absorbtion(200 nm to 400nm) range but i need the measurement in the IR range(wavelenght).
Is there any way to covert the UV absorbtion to IR absorbtion (wavelength conversion)with out any instrument only by theoretical formula. Whether this is possible or not ? i dont know. If any suggestions its more helpful for me.


Top of pagePrevious messageNext messageBottom of pageLink to this message  By readski on Wednesday, October 8, 2003 - 04:28 pm:

why not try to make gold from lead?


Top of pagePrevious messageNext messageBottom of pageLink to this message  By Tim on Tuesday, October 14, 2003 - 02:11 am:

I am guessing what you mean is, is it possible to predict the IR spectrum from the UV spectrum. In short, No. The UV spectrum will not give enough information on the functional groups in your compound to allow you to determine the IR spectrum.

You only option is to put your sample into an IR.


Top of pagePrevious messageNext messageBottom of pageLink to this message  By Anonymous on Tuesday, October 14, 2003 - 08:49 am:

Is the other way possible?
From IR to UV?

IR does give you enough information, or am I wrong?


Top of pagePrevious messageNext messageBottom of pageLink to this message  By Anonymous on Tuesday, October 14, 2003 - 10:00 pm:

In theory I think you can say something about UV spec from IR spec. Actually you can predict the whole structure from the IR spectrum. This means you can also say if you have UV chromophores or not. However I think UV spec gets complicated if you have more than one chromophore and you may see some complicated interactions. Also the solvent effect may be different in UV and IR.


Top of pagePrevious messageNext messageBottom of pageLink to this message  By K.H.W. on Tuesday, October 14, 2003 - 11:07 pm:

You may be able to identify the chromophores in IR, but there is hardly any chance to quantify exactly the extent of konjugation. One C=C double bond more or less can change the UV spectrum significant.


Top of pagePrevious messageNext messageBottom of pageLink to this message  By Anonymous on Tuesday, December 2, 2003 - 08:48 am:

You can however predict both the IR spectra for small molecules from first principles. Electronically excited states and transition probablities excluding solvent effects (i.e. something like UV) may also be predicted. One such computer program for this is Gaussian. Its web site is www.gaussian.com There are others of course.


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