Research Guides: Chemistry: Spectroscopy

Books

Handbook of Spectroscopy (2014) by David S. Moore, Günter Gauglitz (Editors)
NMR Spectroscopy: Basic Principles, Concepts and Applications in Chemistry (2013) by Harald Günther
Essential Practical NMR for Organic Chemistry (2011) by S. A. Richards; J. C. Hollerton
Interpreting Organic Spectra (2000) by David Whittaker
Infrared and Raman Spectra of Inorganic and Coordination Compounds, Part A, Theory and applications in inorganic chemistry (2009) by Kazuo Nakamoto
Infrared and Raman Spectra of Inorganic and Coordination Compounds, Part B, Applications in coordination, organometallic, and bioinorganic chemistry (2009) by Kazuo Nakamoto

Handbook of Infrared and Raman Spectra of Inorganic Compounds and Organic Salts
Drexel Library QC457 .N927 1997 4 vols.
Handbook of Infrared and Raman Characteristic Frequencies of Organic Molecules
Online and in print at Drexel Library QC462.5 .H343 1991
Aldrich Library of NMR Spectra
Drexel Library QD96.N8P68 11 vols.

Guide to Spectroscopic Identification of Organic Compounds (1995) by Karen Feinstein

Spectral Data

Spectral analysis can be an important tool for identifying unknown compounds.

Note: Selected spectral data are included in SciFinder.

Handbook of Basic Atomic Spectroscopic Data
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 Data
From ThermoFisher Scientific.
NIST Atomic Spectra Database
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.
NIST Molecular Spectral Databases: Microwaves
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.
NIST X-Ray Photoelectron Spectroscopy Database
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.
NMRShiftDB2
An 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.
Spectral Database for Organic Compounds, SDBS
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.
Sigma-Aldrich Catalog
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.