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Sheet of info to help prepare for homework assignments s, Cheat Sheet of Physics

This is a sheet of preparing for physics, one homework assignments to breakdown how each physical equation is used to be solved.

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2023/2024

Uploaded on 04/29/2025

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shantel-flanagan 🇺🇸

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BioinorganicHomework:PhysicalMethods
Fall2020(62pts)
GeneralSpectroscopy
1. CalculatethepopulationratioNupper/NlowerforaUVvistransitionof650nm.Isthatratiocloser
to0thantherationumberIgaveforIRinthelecturenotes?(2pts)
2. Ifaparticulartransitionisforbiddenbyaselectionruledoesthatmeanthatwecannotobserve
thattransitionatall?Explain.(2pts)
EPRSpectroscopy
3. CalculategforanEPRabsorptionat3526GrunonaKbandEPRspectrometer.(2pts)
4. Predicthowmanytheoreticalabsorptions/peaksyouwouldexpectforthemoleculesorions
below.Adorbitalsplittingdiagrammayhelpforsomeofthese.(2ptseach,8ptstotal)
a. OH2+
b. [Co(OH2)6]3+
c. [96Mo(12C14N)6]
d. [Cr(14NH3)6]3+
XAS
5. WhilebothXANESandEXAFSresultsareobtainedatthesametime,theydogivedifferent
information.WhatinformationcanwegetfromXANES?FromEXAFS?(2pts)
6. Explaintheprocessusedtodeterminethe“correct”coordinationenvironment.Forexample,
howdidtheauthorsdothisfortheirferrylstructureinthelecturenotes?(1pt)
MössbauerSpectroscopy
7. WhatinformationaboutanironcentercanwegetfromusingMössbauerspectroscopy?(3pts)
8. ThespectrumattherightistakenfromMat.Res.
[online].2013,16,11901194.Estimatetheisomer
shiftandquadrupolesplittingto1decimalplace.
(2pts)Whatdothesevaluessuggestaboutthe
ironcenter(intermsofquestion7)?(3pts)
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Fall 2020 (62 pts) General Spectroscopy

  1. Calculate the population ratio Nupper/Nlower for a UV‐vis transition of 650 nm. Is that ratio closer to 0 than the ratio number I gave for IR in the lecture notes? ( 2 pts )
  2. If a particular transition is forbidden by a selection rule does that mean that we cannot observe that transition at all? Explain. ( 2 pts ) EPR Spectroscopy
  3. Calculate g for an EPR absorption at 3526 G run on a K band EPR spectrometer. ( 2 pts )
  4. Predict how many theoretical absorptions/peaks you would expect for the molecules or ions below. A d ‐orbital splitting diagram may help for some of these. ( 2 pts each, 8 pts total ) a. ൉OH 2 + b. [Co(OH 2 ) 6 ]3+ c. [^96 Mo( 12 C 14 N) 6 ]− d. [Cr( 14 NH 3 ) 6 ]3+ XAS
  5. While both XANES and EXAFS results are obtained at the same time, they do give different information. What information can we get from XANES? From EXAFS? ( 2 pts )
  6. Explain the process used to determine the “correct” coordination environment. For example, how did the authors do this for their ferryl structure in the lecture notes? ( 1 pt ) Mössbauer Spectroscopy
  7. What information about an iron center can we get from using Mössbauer spectroscopy? ( 3 pts )
  8. The spectrum at the right is taken from Mat. Res. [online]. 2013 , 16 , 1190 ‐1194. Estimate the isomer shift and quadrupole splitting to 1 decimal place. ( 2 pts ) What do these values suggest about the iron center (in terms of question 7)? ( 3 pts )

Fall 2020 (62 pts)

  1. Use the ( V (^) zz ) val table to estimate  EQ for tetrahedral Fe(II). ( 2 pts ) Magnetometry
  2. Determine L for tetrahedral Ni 2+. ( 2 pts )
  3. Determine the magnetic moment for octahedral Mo 2+^ considering both the spin and angular components. ( 5 pts )
  4. For the Nd 3+^ ion a. Determine S , L , and J. ( 3 pts ) b. Determine g. ( 2 pts ) c. Calculate the magnetic moment according to the equation 𝜇 (^) ௘௙௙ ൌ 𝑔ඥ𝐽ሺ𝐽 ൅ 1 ሻ𝜇 (^) ஻. ( 2 pts )
  5. The following Curie‐Weiss plot was obtained from Rev. Sci. Instrum. 2007 , 78 , 063906. Are these compounds paramagnetic, ferromagnetically coupled, or antiferromagnetically coupled? ( 1 pt )
  6. The data shown in the graph at right (image taken from this website) were obtained for [CuHF 2 (pyz) 2 ]BF 4 using a SQUID magnetometer. a. Is this compound paramagnetic, ferromagnetically coupled, or antiferromagnetically coupled at very low T? Explain. ( 2 pts ) b. Based on your answer to part a, what is the name for the inflection point? ( 1 pt ) c. Estimate this temperature to  5 K. ( 1 pt ) d. Estimate T using the equation χT ൌ ଵ ଶ 𝑆ሺ𝑆 ൅^1 ሻ^ (^2 pts ) e. How well does your value for T match up with the inset plot at 300 K? ( 1 pt )