Spectroscopy, and bond

A second role for mass spectrometry in the investigation of reactive intermediates involves the nse of spectroscopy. Althongh an important nse of ion spectroscopy is the determination of thermochemical properties, including ionization energies (addition or removal of an electron), as in photoelectron or photodetachment spectroscopy, and bond dissociation energies in ions, as in photodissociation methods, additional spectroscopic data can also often be obtained, inclnding structural parameters such as frequencies and geometries. 

Near-edge X-ray absorption spectroscopy and bonding, 34 223-235 continuum spectral features, 34 234-235 edge widths, 34 233-234 energy shifts and coordination charge, 34 228... 

G.42 Leonid V. Azaroff, ed. X-Ray Spectroscopy (New York McGraw-Hill, 1974). Advanced treatments by twelve authors of such topics as precision spectroscopy, grating spectrometers, emission and absorption spectra, photoelectron spectroscopy, and bonding effects. 

S. S. Brown, Ph. D. Thesis, Spectroscopy and Bond-selected Fragmentation Dynamics in the Photodissociation of Highly Excited Isocyanic Acid University of Wisconsin-Madison, Madison, 1996. 

D. Willock (2009) Molecular Symmetry, Wiley, Chichester - A student text introducing symmetry and group theory and their applications to vibrational spectroscopy and bonding. 

Spatial and spin symmetry are properties of the solution of the (non-relativistic) Schrodinger equation and therefore of molecular states. Besides providing convenient labels, a state s symmetry properties provide basic information about its spectroscopy and bonding properties. State symmetry is a many-electron property, but the symmetry of one-electron wavefunctions (molecular orbitals, MOs) is also defined within most contexts of approximations to many-electron wavefunctions. MO symmetries are additionally useful in understanding spectroscopic and bonding properties, as well as molecular rearrangements through the Woodward-Hojfmann rules. 

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