Deduction of Bond Length Changes of Symmetric Molecules from Experimental Vibrational Progressions, Including a Topological Mass Factor

The change ΔR x of bond length R x for atom X in a molecule upon electronic transition can be derived from the intensities I i of the vibrational stretching progression v = 0 → i of the electronic absorption or emission spectrum. In many cases, a simple model is sufficient for a reasonable estimate...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2012-12, Vol.116 (50), p.12299-12304
Hauptverfasser:	Su, Jing, Wei, Fan, Schwarz, W. H. E, Li, Jun
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic properties Bonding Chemical bonds Electronics Mathematical models Progressions Symmetry Topology
Online-Zugang:	Volltext
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