Chemistry 

Book shelves (1st fl.) / QC457 .N927 1997 4 v.

Reference (1st fl.) / QD96.N8P68 11 v.

Book shelves (1st fl.) / QC462.5 .H343 1991

This NIST handbook provides a selection of the most important and frequently used atomic spectroscopic data. The compilation includes data for the neutral and singly-ionized atoms of all elements hydrogen through einsteinium (Z = 1-99). The wavelengths, intensities, and spectrum assignments are given in a table for each element, and the data for the approximately 12,000 lines of all elements are also collected into a single table, sorted by wavelength.

Spectra Online is a FREE web-based spectral database service for the chemical research community. The spectra in the database are comprised of collections of public domain and other data generously submitted by various institutions and individuals.

The Atomic Spectra Database (ASD) contains data for radiative transitions and energy levels in atoms and atomic ions. Data are included for observed transitions of 99 elements and energy levels of 56 elements. ASD contains data on about 950 spectra from about 1 Å (Ångströms) to 200 µm (micrometers), with about 72,000 energy levels and 102,000 lines.

These three databases of diatomic, triatomic, and hydrocarbon molecules cover primarily the microwave region with some data available for the radio frequency region. Rotational spectral lines for 121 diatomic molecules, 55 triatomic molecules, and 91 hydrocarbon molecules have been tabulated.

The NIST X-ray Photoelectron Spectroscopy (XPS) database gives easy access to the energies of many photoelectron and Auger-electron spectral lines. Resulting from a critical evaluation of the published literature, the database contains over 22,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines.

A NMR database for organic structures and their nuclear magnetic resonance spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties.

Raman spectroscopy can offer valuable information on the physics and the chemistry of materials, such as phase transition, lattice dynamics, chemical reaction, identification, and more. Provides spectrum images in PDF format, wavenumber - intensity data in ASCII text, and mineral photos in JPEG format.

SDBS is an integrated spectral database system for organic compounds,which includes 6 different types of spectra under a directory of the compounds. The six spectra are as follows, an electron impact Mass spectrum (EI-MS), a Fourier transform infrared spectrum (FT-IR), a 1H nuclear magnetic resonance (NMR) spectrum, a 13C NMR spectrum, a laser Raman spectrum, and an electron spin resonance (ESR) spectrum.

The chemical company's website includes free PDFs with FT-IR Raman, FT-IR Condensed Phase and FT-NMR spectra for some chemicals in their catalog.

A pay-per-use spectral database service providing cost-effective access to the complete Thermo Electron spectral library collection which includes over 71,000 FT-IR and nearly 16,000 Raman spectra. FTIRsearch.com offers the single largest and broadest online collection of fully reviewed, high quality spectral data.