Having problems with message search?
The following free program maybe of help:
"PhotochemCAD is a computer-aided research and teaching tool for the field of photochemistry. PhotochemCAD contains a master molecule database of absorption and fluorescence spectra of 150 compounds, including molar absorption coefficients (e), fluorescence quantum yields (), and original literature references for almost all compounds. Molecular structures are displayed upon viewing the spectra. A database of solar spectra also is included. Modules are available for performing a variety of calculations that use absorption and fluorescence data, including calculation of oscillator strength, transition dipole moments, natural radiative lifetimes, and Förster energy-transfer rates and yields. Other modules enable multicomponent analysis calculations, simulations of fluorescence spectra upon energy transfer among linear arrays of pigments, calculations of blackbody radiator curves, and display of Gaussian, Lorentzian and/or delta functions. The spectra can be displayed on various scales (l in nm, n in Hz or , etc.), and manipulated in various ways. The compounds in the database are predominantly organic in nature with an emphasis on those that are biologically relevant and those with absorption in the visible region of the spectrum. The compound classes are shown in the following table along with one representative member of each class. The number of spectra refers to absorption spectra. The number of spectral sets (absorption and fluorescence) exceeds the number of compounds because several compounds have been examined in more than one solvent."
For download see: (installed about 200 Mb)
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Hello,
I'm an amateur scientist in Denver, CO, looking to expand my lab a
bit. I would like to be able identify different compounds in a
solution of (whatever), and have a computer identify the ingredients.
I *assume* I need:
1) a spectrophotometer with a computer interface and software
2) a way to seperate the individual compounds using chromatography
(HPLC?)
3) a database to identify the individual spectra
4) I'm not sure what the most useful spectra are - IR / Vis / UV?
5) Are there any free computerized databases out there?
This is brand new territory for me. What used system, which I might
find on Ebay would be the best 'bang for the buck'?
Thanks for your advice!
Best regards,
-Mark
I'm an amateur scientist in Denver, CO, looking to expand my lab a
bit. I would like to be able identify different compounds in a
solution of (whatever), and have a computer identify the ingredients.
I *assume* I need:
1) a spectrophotometer with a computer interface and software
2) a way to seperate the individual compounds using chromatography
(HPLC?)
3) a database to identify the individual spectra
4) I'm not sure what the most useful spectra are - IR / Vis / UV?
5) Are there any free computerized databases out there?
This is brand new territory for me. What used system, which I might
find on Ebay would be the best 'bang for the buck'?
Thanks for your advice!
Best regards,
-Mark
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