Sadtler database

Sadtler Databases for FT-IR, e.g. Fibers Textile Chemicals or Hummel/Sadtler Polymers , Bio-Rad Laboratories Ltd. Kernel Hempstead, Herts HP2 7TF, England. 

Infrared (IR) spectroscopy is most often used for qualitative identification of chemical compounds. Comprehensive works on the application of IR spectroscopy to identification of surfactants are available elsewhere. The volume of Hummel is an essential reference for experts as well as a teaching aid for novices (1). The Sadtler database is invaluable (2). A number of shorter works provide an introduction to surfactants for the beginner (3-6). With experience, the spectroscopist will find it possible to identify not only pure compounds, but also mixtures of surfactants. Modem computerized instraments aid by permitting subtraction of spectra of known compounds from the spectrum of the mixture. IR spectroscopy is widely used for detailed examination of purified fractions prepared by extraction or ion exchange chromatography. The small sample size requirement makes it possible to identify compounds collected from the eluent of a liquid chromatograph, especially if techniques like diffuse reflectance Fourier transform IR are used. 

Sadtler Standard Spectra. Philadelphia Sadder Research Laboratories C. J. Pouchert, The Aldrich Library of infrared Spectra, 3rd ed. Aldrich Chemical Co., Milwaukee, WI, 1981. P. J. Linstrom and W. G. Mallard, Eds.. NIST Chemistry WebBook, NIST Standard Ref erence Database Number 69, March 2003, National Institute of Standards and Technology, Gaithersburg. MD 20S99 rhttp //webbook.nfst.govl Thermo Galactic, Spectra Online, (http //spectra.galactic.com/). 

CSEARCH system of software and databases. Version 5.1, Sadtler Division, Bio-Rad Laboratories, Hercules, CA... 

Figure 4.32 Hexane, CsHu, a normal alkane. (Copyright Bio-Rad Laboratories, Informatics Division, Sadtler Software and Databases, 1999. All rights reserved.)...

Figure 4.33 Cyclohexane, CgHi2, a cyclic alkane. The structure shown on the spectrum is the typical shorthand notation—each point of the hexagon is a CH2 group and the sides of the hexagon are the single covalent bonds between the six CH2 groups. (Copyright Bio-Rad Laboratories, Informatics Division, Sadtler Software and Databases, 1999. All rights reserved.)...

Division, Sadtler Software and Databases, 1999. All rights reserved.)... 

The Sadder division of Bio-Rad Laboratories (http // www.sadtler.com) has a product on compact disc containing 175,000 IR and 3,300 Raman spectra. For a subscription price the user gets the disc and an e-mailed code from Sadder that opens the disc for searches on one computer for a year. Once the code opens the disc, the user may perform unlimited lookups on one computer for one year. A lookup retrieves spectra by names or structures for comparison. In addition, the user may perform unlimited searches to identify or classify unknowns. Other databases for... 

Bio-Rad Laboratories, Inc. Informatics Division, Sadder Software Databases. (2012) All Rights Reserved. Permission for the publication herein of Sadtler Spectra has been granted by Bio-Rad Laboratories, Inc., Informatics Division.)... 

The Sadtler Capillary GC Standard Retention Index Library, Sadtler, Philadelphia. Computer disk database, contains data on 2000 compounds on four columns. 

Smith, M.E. Strange, J.H. NMR techniques in materials physies A review. Meas. Sci. Tech., 7,449, 1996. Simons, W.W. (ed.) The Sadder Handbook of Proton NMR Spectra. Sadtler Research Laboratories, Ine. Philadelphia, PA, 1978. (Now Bio-Rad Laboratories, Informaties Division, Sadtler Software and Databases.)... 

Bio-Rad Laboratories, Informatics Division, Philadelphia, PA (www.bio-rad.com), publishes the electronic Sadtler spectra collections of high-resolution proton and C NMR spectra, and specialty NMR databases for metabolites, monomers, and polymers. Bio-Rad offers a powerful informatics tool called KnowItAll , which permits spectral processing, search, analysis, and prediction, among other tools. As of 2012, the proton and carbon NMR databases contained over 560,000 spectra, and the other elements NMR databases such as B, P, N, and Si had over 90,000 spectra. 

Bio-Rad Laboratories, Informatics Division, Philadelphia, PA (www.bio-rad.com), publishes the Sadtler IR and Raman spectra collections of over 240,000 spectra. They are available in electronic format and in a variety of specialized subsets, including ATR-IR, with collections of controlled and prescription drugs, nutraceuticals, forensics, polymers, and more. Sigma-Aldrich Chemical Company (www.sigma-aldrich.com) publishes over 18,000 FTIR spectra. National Institute of Advanced Industrial Science and Technology, Tsukuba, Ibaraki, Japan, publishes a free spectral database system of organic compounds. The spectra include IR, Raman, NMR, and MS for most compounds. The database may be found at www.aist.go.jp/RIODB/SDBS. 

Once the criteria for one of the 21 categories is met, the final assignment must be confirmed by comparing the sample spectrum with reference spectra, either those provided within this chapter or spectra published in reference books or commercial digital spectral libraries offered by most of the instrument vendors, and specialist companies, such as Sadtler Laboratories, Division of BioRad. The characteristic spectral peaks that should be used for identification of a polymer sample are described earlier in this section, and later in Sec. 4. We wish to stress that it is unwise to place blind trust in answers provided solely from a commercial computer search program without challenging the result, and without comparing the sample spectrum with reference spectra in published spectral databases. 

The retention index system has the advantage of being based on readily available reference materials that cover a wide boiling range. In addition, the temperature dependence of retention indexes is relatively small. In 1984 Sadtler Research Laboratories introduced a library of retention indexes measured on four types of fused-silica open tubular columns. The computerized format of the database allows retention index searching and possible identity recall with a desktop computer. Measurement of retention indexes is the basis of the Rohrschneider-McReynolds scheme for classification of stationary phases in GC (see Section 27C-4). 

Among other commercially available databases (Table 3) the largest digital collection is that of Sadtler comprising about 160000 spectra. Some were measured by grating spectrometers. 

There are number of commercial databases with facilities for computer searching. The Sadtler collection of organic compounds contains nearly 100 000 IR and several thousand Raman spectra. 

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