040907; hcl potentials: agust,heima.../rempi/hcl/hcl,agust07-/hcl-potentials-040907vhwak.pxp...
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040907; HCl potentials:
Agust,heima.../REMPI/HCl/HCl,agust07-/HCl-Potentials-040907vhwak.pxpAgust,heima.../REMPI/HCl/HCl,agust07-/HCl-Vstate-040907ak.pxpAgust,heima.../REMPI/HCl/HCl,agust07-/HCl-pot-040907.xlsAgust,www.../rempi/hcl/HCl,agust07-/HCl,V,F,X-pot-040907ak.ppt
H35Cl Fstate unit
we 2608,3 from AK etal, JCP, vol 112(24), (2000) cm-1
wexe 49,35 from AK etal, JCP, vol 112(24), (2000) cm-1
De 34464,17877 we*we/(4*wexe) cm-1
beta 1,693310523 0.12177*we*SQRT(mju/De) A-1
re 1,295 from AK etal, JCP, vol 112(24), (2000) A
mju 0,979592507 http://www.raunvis.hi.is/~agust/rempisvaedidir/hclabstand.htm g/mol
nju0(v=0) 82847,2 from Green etal., page 313 cm-1
T0 81555,3875 T0=nju0-(we/2 - wexe/4) cm-1
X state
we 2990,9463 AK etal JCP 109(14) (1998) cm-1
wexe 52,8186 AK etal JCP 109(14) (1998) cm-1
DE 42341,90119 we*we/(4*wexe) cm-1
beta 1,751807865 0.12177*we*SQRT(mju/De) A-1
re 1,274552 NIST A-1
T0 -1482,2685 T0=nju0-(we/2 - wexe/4) cm-1
V state (1)
we 877,16 NIST cm-1
wexe 16,04 NIST cm-1
De 11992,04591 we*we/(4*wexe) cm-1
beta 0,96537314 0.12177*we*SQRT(mju/De) A-1
re 2,512 NIST A
nju0(v=0) 76245,3 NIST cm-1
T0 75810,73 T0=nju0-(we/2 - wexe/4) cm-1
Vstate (2)
we 745,12 analysis of Greens data
wexe 5,357 analysis of Greens data
De 90698,92178 we*we/(4*wexe)
beta 0,298186647 0.12177*we*SQRT(mju/De)
re 2,512 NIST
nju0(v=3) 78697,9 Green et al.
T0 76155,60325 nju0(v=3) -(we(3.5)-wexe(3,5)*(3,5))
040907; HCl potentials from experiments:
700
600
500
400
30252015105
Coefficient values ± one standard deviation a = 745.12 ± 30.7 b = -10.714 ± 1.55
Coefficient values ± one standard deviation a = 867.74 ± 7.5 b = -27.307 ± 1.03
V´+1
DGV state
H35Cl Fstate unit
we 2608,3 from AK etal, JCP, vol 112(24), (2000) cm-1
wexe 49,35 from AK etal, JCP, vol 112(24), (2000) cm-1
De 34464,17877 we*we/(4*wexe) cm-1
beta 1,693310523 0.12177*we*SQRT(mju/De) A-1
re 1,295 from AK etal, JCP, vol 112(24), (2000) A
mju 0,979592507 http://www.raunvis.hi.is/~agust/rempisvaedidir/hclabstand.htm g/mol
nju0(v=0) 82847,2 from Green etal., page 313 cm-1
T0 81555,3875 T0=nju0-(we/2 - wexe/4) cm-1
X state
we 2990,9463 AK etal JCP 109(14) (1998) cm-1
wexe 52,8186 AK etal JCP 109(14) (1998) cm-1
DE 42341,90119 we*we/(4*wexe) cm-1
beta 1,751807865 0.12177*we*SQRT(mju/De) A-1
re 1,274552 NIST A-1
T0 -1482,2685 T0=nju0-(we/2 - wexe/4) cm-1
V state (1)
we 877,16 NIST cm-1
wexe 16,04 NIST cm-1
De 11992,04591 we*we/(4*wexe) cm-1
beta 0,96537314 0.12177*we*SQRT(mju/De) A-1
re 2,512 NIST A
nju0(v=0) 76245,3 NIST cm-1
T0 75810,73 T0=nju0-(we/2 - wexe/4) cm-1
Vstate (2)
we 745,12 analysis of Greens data
wexe 5,357 analysis of Greens data
De 90698,92178 we*we/(4*wexe)
beta 0,298186647 0.12177*we*SQRT(mju/De)
re 2,512 NIST
nju0(v=3) 78697,9 Green et al.
T0 76155,60325 nju0(v=3) -(we(3.5)-wexe(3,5)*(3,5))
140x103
120
100
80
60
40
20
0
E [
cm-1
]
54321
r [Å]
V 1+
0+
A 1
a 3
X(HCl+)
2
E 1
X state
F state
V state (2)
V state (1)
F, V(1) , V(2) and X state Morse potentials (see above), etc:
?
fit
fits