Effectively Searching for Spectroscopic Literature and Data

1. NMR Searching:


(1) To get started:
- If it is commercially available compounds, look up “The Aldrich library of 13C and 1H FT NMR spectra” (REFERENCE, QD96.I5 N96 2001).
- If it is not commercially available chemicals, try to find NMR information from specific journals. Go to the Beilstein or Sci finder, and give structure, name, or formula to find the information.
- Contact to chemical provider
- It’s good to know that you can do the quick simulation on 1H NMR and 13C NMR from Chemdraw. It doesn’t give you accurate values on chemical shifts but it is helpful sometime.

(2) Specialist Periodical Reports:
The Chemical Society publishes a serial, which is a review of recently published literature on a number of topics. A volume was published on NMR in 1991-1992; it can be found using call number QC762.N88 vol. 22. In addition, following are related serials that can be found in chemistry library
- Topics in carbon-13 NMR spectroscopy (chemistry QD272.S6 L48)
- Handbook of proton-NMR spectra and data, (chemistry, series, QC 762.H33 1985).

(3) A few good web sources are:
http://www.aist.go.jp/RIODB/SDBS/sdbs/owa/sdbs_sea.cre_frame_sea
www.bruker.de/guide/index.html
www.chem.uni-potsdam.de/tools/index.html
www.dmoz.org/science/chemistry/nuclear_magnetic_resonance/.html
www.chemsoc.org/pdf/learnnet/rsc/NMR_txt.pdf

(4) Experts in the Field:
Talk to the director of the Columbia NMR Facilities, John Decatur, for recommended general reading on the practical side of NMR. He is also able to schedule training and demonstrations on the practical techniques available. Training on the Turro Group NMR’s is available through Ashok Maliakal, Tracy Morkin, or Kirsten Ostberg.

 

2. Fluorescence Searching:


(1) Most useful resources:
- Handbook of Photochemistry 1993 (by Murov, Steven L)
available from Turro group and chemistry REFERENCE QD719 .M87
- Principles of Fluorescence Spectroscopy (by Joseph Lakowicz) (chem. QD96.F56 L34 1999)


(2) Electric Resources:
http://phys.educ.ksu.edu/vqm/html/fluorescence.html


(3) Experts in the Field:
Talk to Steffen Jockush for practical training and information regarding the Fluorescence spectrometers within the group.

 

3. ESR Spectra Searching:


(1) Useful web sites:
When searching for ESR Data, one of the useful sources is the Landolt-Boernstein Database which is available on the chemistry library website online, or using the link below. This database contains the ESR splitting patterns for various organic and inorganic free radicals.


Landolt-Boernstein Search:

http://link.springer.de/link/service/series/0284/tocs/t002.htm
Magnetic Properties
Magnetic Properties of Free Radicals (See chapters: 1, 9, 17, 26)


SDBS: http://www.aist.go.jp/RIODB/SDBS/menu-e.html
www.chemsoc.org/pdf/learnnet/rsc/UV_txt.pdf

 

4. IR spectra Searching:


(1) Good web source of IR-data:
Enter the molecule name to search this database.
SDBS: http://www.aist.go.jp/RIODB/SDBS/menu-e.html
NIST: http://webbook.nist.gov/chemistry/
WIZARD: http://www.chem.uni-potsdam.de/tools/index.html
WEB SPECTRA: http://w3.chem.ucla.edu/~webspectra/


(2) Useful Books:
Also available in the Library are Aldrich IR Reference books which contain IR data for any Aldrich compounds
- The Aldrich Library of FT-IR Spectra (volume 1-3).
- Raman Infrared Atlas of Organic Compounds (Reference, chem. QD 272.S6)


(3) Experts in the Field:
Talk to Steffen Jockush and/or Joanne Dyer for practical training and information regarding the IR spectrometers within the group.

 

5. UV-Vis Spectra Searching:


Good Resources:
- Organic structures from spectra (chem. QD272.S6 S74 1995).
- UV-VIS Atlas of organic compounds (chem. QC462.85 .P47 1992).
- Handbook of Ultraviolet and Visible… (chem. QD291. H61, 1967).

 

 

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