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Excitation of neutral molecules: Probing the dynamics by translational energy spectrometry
Author(s) -
Krishnamurthy M.,
Mathur D.
Publication year - 1995
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.1290090416
Subject(s) - chemistry , diatomic molecule , polyatomic ion , atomic physics , excitation , projectile , ion , wave function , spectroscopy , collision , spectral line , yield (engineering) , molecule , molecular physics , physics , quantum mechanics , organic chemistry , thermodynamics , computer security , computer science
High‐resolution translational energy spectroscopy has been applied to the study of collision‐induced excitation of neutral diatomic and polyatomic molecules using molecular projectile ions. Techniques to simulate the experimentally observed energy loss spectra are explored and information regarding the relative oscillator strengths to different electronic states of the neutral targets has been obtained. The effects of changing the quantal description of the projectile are studied and the results are understood within the domain of wavefunction overlaps. Concomitant calculations of the wavefunction overlap of the highest occupied molecular orbitals of the collision partners yield results which are consistent with the experimental observations.