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In quantum mechanics the basis for a spectroscopic selection rule is the value of the transition moment integral [1], =, where and are the wave functions of the two states, "state 1" and "state 2", involved in the transition, and μ is the transition moment operator.
With the aid of these rules the UV absorption maximum can be predicted, for example in these two compounds: [8] In the compound on the left, the base value is 214 nm (a heteroannular diene). This diene group has 4 alkyl substituents (labeled 1,2,3,4) and the double bond in one ring is exocyclic to the other (adding 5 nm for an exocyclic double ...
In spectroscopy, a forbidden mechanism (forbidden transition or forbidden line) is a spectral line associated with absorption or emission of photons by atomic nuclei, atoms, or molecules which undergo a transition that is not allowed by a particular selection rule but is allowed if the approximation associated with that rule is not made. [1]
UV-Vis can be used to monitor structural changes in DNA. [8] UV-Vis spectroscopy is routinely used in analytical chemistry for the quantitative determination of diverse analytes or sample, such as transition metal ions, highly conjugated organic compounds, and biological macromolecules. Spectroscopic analysis is commonly carried out in ...
Practically speaking, only d-d transitions occur in the visible region of the spectrum. The Laporte rule is most commonly discussed in the context of the electronic spectroscopy of transition metal complexes. However, low-intensity f-f transitions in the actinide elements can be observed in the near-infrared region. [1] [2]
For example, the absorption spectrum for ethane shows a σ → σ* transition at 135 nm and that of water a n → σ* transition at 167 nm with an extinction coefficient of 7,000. Benzene has three aromatic π → π* transitions; two E-bands at 180 and 200 nm and one B-band at 255 nm with extinction coefficients respectively 60,000, 8,000 and 215.
Ultraviolet–visible spectroscopy (UV–vis) can distinguish between enantiomers by showing a distinct Cotton effect for each isomer. UV–vis spectroscopy sees only chromophores, so other molecules must be prepared for analysis by chemical addition of a chromophore such as anthracene.
For any given transition, the value of P is determined by all of the selection rules, however spin selection is the largest contributor, followed by electronic selection rules. The Franck–Condon factor only weakly modulates the intensity of transitions, i.e., it contributes with a factor on the order of 1 to the intensity of bands whose order ...
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