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.

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23 views

Taking a procedure for ICP and adapting it to use with AAS

I was reading a paper regarding metal detection and they gave their procedure for an acid digest of a soil sample which was then analysed by ICP-OES. They used nitric acid, hydrogen peroxide and ...
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Can anyone help me with this question on vibrational modes of free base porphyrin (C20H14N4)?

4 a. The structure of free-base porphyrin $(\ce{H2P}$, chemical formula: $\ce{C20H14N4})$ is shown below. Given that this molecule belongs to the $D_\mathrm{2h}$ point group (character table given ...
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38 views

What interesting things can be seen in spectra between 400-700nm?

The visible spectrum (400-700nm) tends to give a very blurry spectral picture, as it is not a wide band relative to the typical peak width of features you can find there. Further, the vibrational ...
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38 views

Is there a simpler way to detect alcohol in a blood sample using IR spectroscopy?

I have seen all sorts of ways to detect alcohol using NIRS (Near InfraRed Spectrscopy) or FTIR, but they are all quite complicated in that they are using and analyzing a very wide spectrum. In ...
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60 views

Software for computations of rovibrational states' energies and corresponding spectroscopic constants in diatomic molecules

I need to compute rovibrational energy levels and also the spectroscopic constants, especially $\omega_e$ to compare my results with other papers. So far I've tried LEVEL16, which seems very ...
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1answer
196 views

Binding energy question [closed]

The electrons in the 1s orbital of chlorine have a binding energy of 273 MJ/mol, but the 1s electrons in sulfur have a binding energy of 239 MJ/mol. Why is this?
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How to calculate spectral overlap integral using spreadsheets?

I need to calculate the spectral overlap integral for the emission spectrum of coumarin 334 and the absorption spectrum for rhodamine, using spreadsheets (MS Excel). Following the theory of ...
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1answer
126 views

Franck-Condon factors in photoelectron spectroscopy

Franck-Condon factors have been used to predict / assign the vibrational structure of photo-electron spectra. $FCF=|\langle\psi''_{vib}|\psi'_{vib}\rangle|^2 = |\langle\psi''_{vib,1}\psi''_{vib,2},\...
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53 views

Free induction decay in NMR (as stated in Pavia)

There is a statement in a very popular textbook of spectroscopy by Pavia (Chapter 3, Intro. to Spectroscopy), it says "The observed FID is actually an interference signal between the radiofrequency ...
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52 views

Why ¹H–¹⁴N coupling is not observed in ¹H NMR

Since the nuclear spin value of $\ce{^{14}N}$ is $I = 1$, we should expect a coupling between $\ce{^1H}$ and $\ce{^{14}N}$. Hence, the proton peak in a primary amine $(\ce{-NH2})$ should split in a ...
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How to obtain spectroscopic constants Omega_e, Alpha_e, B_e, D_e and D_0 from centrifugal constants?

I need to compute a spectroscopic constants of $N_2^+$ states and I would like to do it using LEVEL16 software, due to its high interpolation flexibility. But it seems, that LEVEL16 can only compute ...
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535 views

Spectroscopic constants - explanation

I'm a beginner in spectroscopy and I have troubles understanding papers describing values of spectroscopic constants. This paper, for example, describes constants $T_e, R_e, \omega_e, \omega_ex_e, B_e,...
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105 views

Interaction of the oscillating magnetic field of electromagnetic radiation with a molecule or atom

Whenever we read rotational, vibrational and electronic spectroscopy, we find details on the interaction of the electric dipole moment of the molecule with the oscillating electric field of ...
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476 views

How to calculate the radius of gyration (Rg) and the molar mass from light scattering data (Rθ and θ/degree)?

I have a homework problem that I don’t have a solution for, so I would like understand how to solve it and to know if my suggested way of solving it is on the right track. The problem is as following: ...
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2answers
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Absorption coefficient for liquid water

Wikipedia has this plot of the absorption spectrum of liquid water: The vertical axis seems weird to me. The Beer-Lambert Law says $T=10^{Ax}$ where $T$ is the fraction of light transmitted, $A$ is ...
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73 views

Why does molecular oxygen absorb in the IR range?

I am studying spectroscopy and know that $\ce{CH4}$ and $\ce{CO2}$ are known as greenhouse gases because they are IR active. This is because they have asymmetric stretch or bend vibrational modes ...
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1answer
111 views

Can amide bonds fragment in ESI-MS?

Electrospray Ionization Mass Spectrometry(ESI-MS) is a technique in mass spectrometry to get an idea about molecular ion peak. In the ESI-MS spectra of an amide compound, I observed that the molecular ...
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How to predict the 31P NMR spectra?

What can I predict about the $\ce{^{31}P}$ spectra of $\ce{TiP2O7}$? To get the required information about the crystal structure of the compound Here is a screenshot from the ICSD website: Since ...
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27k views

Why are d-d electronic transitions forbidden and weakly absorbing? Why do they occur at all?

I am unable to understand why d-d electronic transitions are forbidden? Why are they weakly absorbing and apart from that, why do they occur at all?
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Effects on Stretching Frequencies in Organometallic Complexes

If you added a negative charge to $\ce{Mo(CO)_6}$ how would this effect the $\ce{CO}$ stretching frequency in an IR spectrum? My thoughts are that it would lower the $\ce{CO}$ stretching frequency ...
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2answers
675 views

Relationship between the symmetry number of a molecule as used in rotational spectroscopy and point group

While doing a problem set I noticed that the symmetry number of a molecule turns out (usually) to be half the number of symmetry elements that the point group the molecule belongs to. When I say ...
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1answer
180 views

Proton NMR spectrum of aminocaproic acid

I have completely unpacked the NMR spectrum for the drug aminocaproic acid (structure below) and have found a peak that I myself can not explain. The signals for the drug are simple to understand what ...
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70 views

How to recreate bioluminescence in fireflies in a lab?

I have several mg/mL of D-luciferin, luciferase (firefly), ATP solution (25 mmol) and MgSO4 (for the mg2+ ions). The experiment has to be done in cuvettes of 2,5 mL (if I get any results, it will be ...
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1answer
218 views

What could cause a peak to split into 2 resonances as temperature increases in NMR spectroscopy

I understand that some peaks may coalesce upon an increase in temperature due to an increase in free rotation, this does occur with some peaks in my data. Why might you see a peak split into two other ...
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1answer
70 views

How to determine the number of water ligands attached to Pd in palladium chloride aquacomplex PdClₓ · yH₂O?

Normally this can be achieved using UV-vis: there is a strong absorbance around wavelength 220 nm which varies based on the number of ligands. If the palladium concentration is too high, the solution ...
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6k views

Which are the differences between resonance Raman and fluorescence?

If the fluorescence is the re-emitting of a photon with a larger wavelenght due to the transition from a higher energy state to a lower energy state the case of resonance Raman (where there aren't any ...
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1answer
20k views

What is the maximum number of emission lines when the excited electron of a H atom in n = 6 drops to ground state?

When an electron in a higher energy state jumps to a lower energy state in Bohr’s model of hydrogen atom, it emits a photon which has energy equal to the difference in the energy between the final and ...
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1answer
174 views

Spin-forbidden transition iof bromine

In one of the lectures of my spectroscopy course, the professor claimed that there is a strong absorption band in the UV/Vis spectrum of bromine, associated with a singlet-state to triplet-state ...
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91 views

Internal standard with low T1 for NMR quantification of ammonia

I am trying to quantify low levels of ammonia with NMR. The good news is that ammonia has a very low T1 (<0.5) which shortens d1 a lot. However, I cannot find any internal standard with a T1 that ...
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27 views

why do cone cells have broad responsivity spectra peaks?

My understanding of vision is that, although the cone cells in our eyes can detect three colors, there is enough overlap in the responsivity spectra (as shown here: https://en.wikipedia.org/wiki/...
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1answer
38 views

Absorbance maxima of polyenes [closed]

Can anyone tell me how to approach this question from USNCO 2013?
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2answers
168 views

Flame Test Spectrograms Not Lining Up With Reality

In my AS Level chemistry class we had tried some DIY spectroscopy of flame tests with the aim of identifying anions in certain salts. We got as far as building the spectrometer inspired by Paper Craft ...
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34 views

How do we determine the proportions of hydrogen to helium (to other elements) that make up the Sun given the absorption spectra?

I am reading about the composition of the Sun and how it is made up of mostly hydrogen (~90%) and helium (>10%) and other elements with much smaller quantities. The explains that different elements ...
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0answers
2k views

How to tell if a vibrational mode in benzene is IR and/or Raman active?

Consider the vibrational mode that corresponds to the boat-like bending of a benzene ring. Is it (i) Infrared active? (ii) Raman active? This question was asked in an assignment in my college. ...
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2k views

Why the chemical shift value of a proton be negative in proton NMR spectroscopy where TMS is used as standard reference?

If there's any possibility of chemical shift value of a proton be negative.And if yes...why..when I am using TMS as a standard reference.
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158 views

Why doesn't the current stop in neon lamps when all the atoms have been ionized? [closed]

My personal experience (which could be wrong) tells me neon lamps can theoretically run on forever or at least a very long time. If current is the flow of charge why doesn't it stop once all the atoms ...
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1answer
694 views

Proton NMR Spectrum for Nicotinic Acid

I have been able to slightly unpack the NMR spectrum for the nicotinic acid to understand the order of signals and what ones correspond to what protons but I am having a problem with why some of the ...
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3answers
399 views

Heisenberg uncertainty principle and lifetime of the excited state

A key relation in optical spectroscopy also used to derive natural bandwidth is: $\Delta E \Delta t=ℏ$ $\Delta E$ is the energy uncertainty of a state, $\Delta t$ should be the uncertainty of the ...
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HNMR - Peak Splitting

If you have $\ce{CH3-\color{\red}{CH2}-CH2Br}$ Then the $\ce{CH2}$ (in red) would have a peak splitting of $12$ because $(n+1)(m+1)$ where $n$ for the $\ce{CH3}$ is $(3+1=4)$ and m for $\ce{CH2}$ is $...
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1answer
41 views

How to measure UV index? [closed]

I am a high school student so please apologise if I say something very dumb or irrelevant. I am conducting an experiment in which I want to find UV index at different points. Such as under shade, ...
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1answer
242 views

Raman transition and IR transition

In a character table one can find the reducible representation of vibration of a molecule. In such a table we also see things like $xy,z,x...$. If this corresponds with an irrep we say that IR ...
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How to make approximation of rotational partition function of diatomic linear molecules?

Using the rigid rotor approximation to the level energies, and such other appropriate assumptions, we can approximate rotational partition function, $Q_{\mathrm{rot}}$, of linear molecules as follows: ...
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3answers
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What other nuclei besides hydrogen and carbon 13 could be detected using NMR and is H1-NMR synonymus to NMR?

From my understanding NMR spectroscopy works by analyzing the resonance frequency of each structure around a hydrogen or carbon. Since every structure is unique and has unique resonance frequency it ...
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1answer
35 views

Potential energy curve for dissociation of cation of carbon dioxide

Can anyone suggest me some literature where I can find the potential energy curve or the electronic states for singly ionized $\ce{CO2}$ ($\ce{CO2+}$) dissociating into singly charged oxygen ($\ce{O+}$...
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72 views

High content of potassium reported by spectrometer in silverware items

We tried to analyze a few silver items (800/1000 fineness) using a hand-held ED-XRF spectrometer, which is normally used for analyzing industrial alloys etc. The operating element range of the device ...
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2answers
241 views

Do microwaves heat polar molecules or molecules with polar bonds?

IR is only absorbed my molecules with polar bonds regardless of the overall polarity of the molecule , what about Microwaves ?
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2answers
13k views

How does one find the ground-state term symbol for a configuration that is exactly half-filled?

For instance, the ground-state configuration of N atom is a $p^3$ configuration of all parallel spins and one electron in each $2p$ orbital, which has: Total spin angular momentum, $S = 3 * \frac{1}{...
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Why can't carbon and nitrogen be detected in ICP-MS and ICP-OES techniques?

Why can't carbon and nitrogen be detected in ICP-MS and ICP-OES techniques? My book says this technique is efficient for detecting multiple elements, with exception of halogens and carbon. I found ...
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2answers
92 views

Restrictions on transitions in Spectroscopy

Just for the sake of an example, let's assume a transition from one energy state to a higher energy state in atomic absorption spectrum If the energy difference between the ground state and first ...
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1answer
616 views

Hydrogen's confusing purple glow

While reading about hydrogen on Wikipedia, I read that hydrogen has a purple glow in its plasma state. This confused me because although hydrogen is present in its plasma state on the sun, the sun ...

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