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Inorganic Chemistry III: The Transition Metals. CHEM 341

Finding spectra for inorganic compounds

To find experimental IR or other spectra or property information in the literature, you can use the following tools:

  1. Dictionary of Inorganic Compounds
    Available in Vanier Reference - QD 148 D53 1992. To use the Dictionary, you must look up by chemical formula. For organometallics, the formula always starts with CnHn and the other elements follow in alphabetical order. For inorganic compounds without carbon, the formula is in alphabetical order (eg. Cl8Re2).

    Examples (DMSO organometallics: CuCl2(DMSO)2 & RuCl2(DMSO)4):

    • C4H12Cl2CuO2S2: This entry will be for dichlorobis(dimethyl sulfoxide)copper(II). It will give you the CAS RN, and a list of references where you can find the IR of the compound.
    • C8H24Cl2O4RuS4: This entry will be for dichlorotetrakis(dimethyl sulfoxide)ruthenium(II). It will give you the CAS RN for many different variations of this compound. You can also search SciFinder (see below for insructions).

  2. SciFinder:
    It is best to search by molecular formula (eg. Re2Cl8) instead of substance name or drawing the structure. You may get many results. You will have to look at each one carefully to see which one is your compound.

    Example (RuCl2(DMSO)4):

    • Search by chemical formula (click on the Explore tab, then Molecular Formula and enter C8H24Cl2O4RuS4) or use one of the CAS RN listed in the Dictionary (for example: 59091-96-2). This will give a list of the 11 different variations of the compound that exist. Some of the 11 variations have property information, including references where you can find the IR. Click on the Substance Detail link for each compound to check for the availability of experimental property information.

    Note: Most articles do not give the IR spectra as an image. The IR bands will be listed somewhere in the article, often in the experimental section. For example, it might simply be listed as:

    IR (KBr, cm-1): 3019, 2917 (C-H), 1119-1096 (br, st O-S-Ru), 921 (st S-O-Ru).

  3. Library sources for spectra:
    There are many books in the library that provide spectra or information on how to analyze spectra.
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