Questions tagged [spectroscopy]

Use this tag for questions about spectroscopic methods in practice and in theory, especially where more specific tags for the individual method (such as [nmr-spectroscopy] or [ir-spectroscopy]) are not available.

Spectroscopy is the study of the interactions between matter and radiated energy. Experimentally, the results are returned as a function of wavelength versus amplitude (intensity), where the spectral lines represent the resonance frequency of the sample.

There are many different types of spectroscopy. Common spectroscopy techniques include:

to name a few.

Spectroscopic techniques are often used in chemistry to characterize a compound and determine its constituents. In biochemistry, spectroscopy is often used to study the conformers and physical structure of proteins and other biological molecules.

A subset of these topics is time-resolved spectroscopy, which uses ultra-fast laser pulses (on the pico or femtosecond timescale) to analyze transient species as they are forming. Time-averaged spectroscopy, such as an FT-IR encountered in an organic lab, provides an average IR spectrum of all the molecules in your sample, whereas ultra-fast spectroscopy can provide information on the structures of intermediates and even very short-lived transition states as a reaction proceeds along its reaction coordinate. Whilst transient UV/vis and IR spectroscopy is common, ultra-fast NMR is not possible due to the relative longevity of the beta state.

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Is it true that heavy water is not blue?

I believe I saw this claim somewhere on the internet a long time ago. Specifically, it was claimed that the difference could be observed by filling one long, straight tube with light water and one with heavy water, and looking through both tubes…
Brian
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Can hot food ever emit x-rays or gamma rays?

I was just wondering, if heating food up is the result of increasing the energy of bends and stretches in the bonds of the molecules, is it ever possible for tiny amounts of x-rays and gamma rays be emitted? When we give a molecule enough energy,…
user314901
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A compound that absorbs all visible light

Is there a compound that absorbs all visible light?
oushida
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Are the bonding orbitals in methane equivalent - photoelectron spectrum

The low energy portion (the part dealing with the $\ce{2s}$ and $\ce{2p}$ electrons) of the photoelectron (PE) spectrum of methane is reproduced below. (image source) The reaction being examined is the following one-photon process $$\ce{CH4 +…
ron
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Why don't equivalent hydrogens cause splitting in NMR?

When doing NMR spectroscopy, it is an observed fact that equivalent hydrogens do not split one another. Why don't equivalent hydrogens split each other's signals? For example, why is the NMR spectrum for ethane a singlet instead of a quartet or even…
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Mechanistic Explanation of Circular Dichroism

I'm wondering if someone can give me a physically motivated reason for why chiral molecules interact with left and right circularly polarized light (LCP) (RCP) differently. Particularly, a quantum mechanical view of what's happening here. I…
jheindel
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What is a virtual state?

In talking about Raman spectroscopy, one finds the Stokes line is simply the difference between the energy of an incoming photon and an emitted photon. This energy corresponds to a vibrational transition in terms of energy. Yet, the light sent at…
jheindel
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Why is a singlet state called singlet and a triplet state called triplet?

I kind of get the idea of singlet and triplet states. But why are they called singlet and triplet (what is the single and what is the triple in these cases)? I feel that I am missing something obvious!
hat
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When simulating spectral line broadening, which convolution is preferred?

Many computational chemistry packages permit the calculation of vibrational and electronic spectra. These spectra are obtained as a set of discrete eigenvalues however they are often convolved with some distribution to give a continuous spectrum…
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Modern open-source tools for simulation of NMR spectra

I am interested in predicting the NMR spectrum of small organic compounds. It doesn't matter to me if the prediction is very accurate. I'll eventually be comparing the prediction to experimental results. It looks as if several free online tools…
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Why are there multiple lines in the hydrogen line spectrum?

Hydrogen has only one electron, yet it exhibits multiple lines in a spectral series, why is this?
Gerard
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Conflict Between Organic and Physical Chemists--explaining the intensities of IR absorptions

I am currently a Chemistry undergrad and I love to fact check everything my O Chem professor says against my research advisor, a physical/computational chemist. Well, my O Chem professor, when discussing IR absorptions, said something which was a…
jheindel
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Interpretation of TD-DFT results

For the first time I'm doing TD-DFT calculations (wB97XD functional) in Gaussian 09 for an open-shell system and the results look like the hell of a mess for me. The molecule is rather big, so I started with just 10 excited states to see how it…
Wildcat
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How are polarizabilities measured experimentally?

Most common spectroscopies that produce either a full spectrum, a tensor, or a scalar value have a specific instrument associated with them that is relatively self-contained and not custom. For example, (linear) IR spectra come from benchtop FT-IR…
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Is circularly polarized light ever used to isolate particular chiralities?

Chiral molecules tend to absorb one circular polarization of light more than the other. Is this ever used to isolate a particular enantiomer?
Dan
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