rpenner
21st January 2011 - 07:34 PM
My experience with Wikipedia indicates they may have dropped a term of pi somewhere along the way. So I cross-checked my formula, then to be perverse used units of cm or cm^(-1) throughout. According to my chemistry sources, since 2000 the trend has been to use daltons (Da) instead of unified atomic mass units (amu or u).
mass(¹H) = 1.007825 Da = 7.57179742 × 10^(12) cm^(-1)
mass(²H) =2.01410178 Da = 1.5131963 × 10^(13) cm^(-1)
mass(¹²⁷I) = 126.90447 Da = 9.53434315 × 10^(14) cm^(-1)
http://en.wikipedia.org/wiki/Hydrogen_atomhttp://en.wikipedia.org/wiki/Deuteriumhttp://en.wikipedia.org/wiki/Iodinehttp://chemwiki.ucdavis.edu/Physical_Chemi...tomic_Molecules(I think this source drops a term of pi in an unnumbered formula)
m̃₁ = m₁c/h
m̃₂ = m₂c/h
B̃= Δṽ/2
B = hcB̃
Ĩ = 1/(8 π² B̃) = 1/(4 π² Δṽ)
I = (h/c)Ĩ
r = √(Ĩ(m̃₁ + m̃₂)/(m̃₁m̃₂)) = √((m̃₁ + m̃₂)/(4 π² m̃₁ m̃₂ Δṽ))
J'' = ṽ/(2 B̃) - 1
J' = ṽ/(2 B̃)
HI
m̃₁ = 7.57179742 × 10^(12) cm^(-1)
m̃₂ = 9.53434315 × 10^(14) cm^(-1)
ṽ = 64.275 cm^(-1)
Δṽ = 12.855 cm^(-1)
B̃ = 6.4275 cm^(-1)
B = 7.9691 × 10^(-4) eV
Ĩ = 1.9705 × 10^(-3) cm
I = 26227 Da pm² (Anyone know what units are conventional?)
r = 1.6196× 10^(-8) cm = 0.16196 nm ( Cross-checks well with a reference )
J' = 5
J'' = 4