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Infrared spectrum of hydrochloric acid

Infrared spectrum of hydrochloric acid

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Physical chemistry molecular spectroscopy infrared spectrum of hydrochloric acid (vapor phase)
Physical chemistry molecular spectroscopy infrared spectrum of hydrochloric acid (vapor phase)

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Published by: Silvia Cristina Bobeica on Mar 05, 2013
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07/26/2013

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Conc. HCl - a few drops on the bottom of a quartz cuvetteResolution 0.125 cm-1Nicolet 6700 FT-IR - 16 scans/ Software: Optima
*all B are actuall B-tilda but I have no idea how to write that in excel
Wavenumbers (cm-1) Wavenumbers (m-1)Spacing in m-1Wavenumbers (m-1) of the weaker signalsDiff. in wavenumbers (m-1)| isotopesLabel of the transition (P branch or R branchAvg separation between the lines (2B) in m-1 (consider only the tall peaks)
3072.82307282P(11)3059.313059311351P(10)1966.4444443045.033045031428304271232P(9)3030.063030061497302775231P(8)
The moment of inertia of the HCl molecule is I=h/(B*8*π^2*c)
3014.393014391567301211228P(7)
Reduced mass of HCl =mH*mCl/(mH+mCl) in amu
2998.032998031636299576227P(6)
in kg => multiply by 1.661*10^(-27) kg/amu
2980.982980981705297874224P(5)
so the radius is sqrt(I/μ) = Bong length H-Cl in meters
2963.272963271771296104223P(4)2944.92944901837294271219P(3)2925.892925891901292373216P(2)2906.232906231966290411212P(1)"Missing line"2865.08286508286300208R(0)2843.612843612147284156205R12821.552821552206281955200R(2)2798.932798932262279696197R32775.742775742319277380194R(4)2752.022752022372275012190R(5)2727.752727752427272590185R(6)2702.992702992476R(7)2677.712677712528R(8)
J'4J'+2
Change in wavenumbers in m-1 (for all transitions ending in the same J)
B'' (for the v=1 level) in m-1
J=1 Δν=ν(R(0))-ν(P(2))
1660811007.3
J=2 Δν=ν(R(1))-ν(P(3))
21010129
Moment of inertia for v=1
J=3 Δν=ν(R(2))-ν(P(4))
314141722.77704E-47
J=4 Δν=ν(R(3))-ν(P(5))
418182051.30644E-10
J=5 Δν=ν(R(4))-ν(P(6))
52222229
J=6 Δν=ν(R(5))-ν(P(7))
62626237
J=7 Δν=ν(R(6))-ν(P(8))
73030231
J=8 Δν=ν(R(7))-ν(P(9))
83434204
J=9 Δν=ν(R(8))-ν(P(10))
93838160
*by ν above I mean wavenumbers
J''4J''+2
Change in wavenumbers in cm-1 (for all transitions starting in the same J)
B' (for the v=0 level) in m-1
J=1 Δν=ν(R(1))-ν(P(1))
1662621038.9
J=2 Δν=νR2-νP2
21010434
Moment of inertia for v=0
J=3 Δν=ν(R(3))-ν(P(3))
314145972.69257E-47
J=4 Δν=νR4-νP4
41818753
Bond lenth radius in the moment of inertia
J=5 Δν=ν(R(5))-ν(P(5))
522228961.28641E-10
J=6 Δν=νR6-νP6
62627028
J=7 Δν=ν(R(7))-ν(P(7))
73031140
J=8 Δν=ν(R(8))-ν(P(8))
83435235
Pi3.141592654
m-1Hz
ν(R(0))=ω+2B' => find ω for HCl 35
284430.28.53291E+13
k=[2pi*(3*10^8*wavenumbers in m-1]^2*reduced mass in kg467.6901869Lit value in Macquarrie Table 5.1 = 478k for H37Cl is considered equal to k for H35Cl therefore
ω(HCl 35)/ ω(HCl 37)=srqt(μ(HCl 37)/μ(HCl 35))
reduced mass of HCl 35 in amu0.979568849reduced mass of HCl 37 in amu 0.981053574
μ(HCl 37)/μ(HCl 35) =
1.001515692
(ω for HCl 37)^2
80778103919
ω for HCl 37 in m-1
284214.8904
ω for HCl 35 - ω for HCl 37 (in m-1)
215.3096109
CLOSE to the values in column ES translational = (3/2)*R*ln(mol weight in g)+(5/2)RlnT-9.66J/(K*mol)
153.436044
Qrotational=kThcB''
20.54868661
hωkT=
13.74145766
Qvibrational=1/(1-e^(-(hω/(kT))))
1.000001077
Srotational=R(1+lnQrot)
33.44553448
Svibrational=R((hω/(kT)/(e^(hω/(kT))-1)+lnQvib)
0.000131981
Stotal(HCl35)=Strans+Svib+Srot
186.8817105
Lit value http://kinetics.nist.gov/janaf/html/Cl-026.html
186.9Average B (
if harmonic
) in m-1983.222I HCl (kg*m^2)2.84504E-47
μ HCl 35 in kg
1.62706E-27
μ HCl 37 in kg
1.62953E-27Bond length HCl 35 in pm132.2Bond length HCl 35 lit. value in pm127.5
Anharmonic
B' in m-1 v=0 in m-11007.3B'' in m-1 (v=1) in m-11038.9I for v=0 in k*m^22.69257E-47I (for v=1) in kg*m^22.77704E-47Bond length (v=0) in pm128.6Bond length (v=1) in pm130.6k in N/m467.9k in N/m lit. value478
ω for HCl 35 in m-1
284430.2
ω for HCl 37 in m-1
284214.8904
ω for HCl 35 - ω for HCl 37 (in m-1)
215.3096109S translational in J/(K*mol)153.436044Srotational in J/(K*mol)33.44553448Svibrational in J/(K*mol)0.000131981S total in J/(K*mol)186.8817105S total in J/(K*mol) lit. value186.9

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