ħ =n/phi = 1.055E-34 J.

s
h= 6.626E-34 J.s
C= 300000000 m/s
1 ev = 1.6021E-19 J
phi = 3.14
mA =Ar*1,67*^-27 kg
k= 1,38*10^-23 J/K

cm^-1 ke eV dikali 1,239*10^-4

pm->m 10^-12
A0->m 10^-10
nm->m 10^-9
um->m 10^-6

cm^-1 -> m^-1 *100

 14 2.338E-26 1.246933E-26
16 2.672E-26 115 1.15E-10

169.7863
336.732 0.00297 29685.3
0.0029698
0 1 2
-10.1970302 -16.99703 -23.79703
-29420330.64-17650142-12606615

10.20297
29403204

0 1 2 3 4 5
1183.4125 3543.0125 5902.6125 8262.213 10621.8125 0
1.649069E-46

890916.2182
10106.01207

3 4 5
-30.5970302 -37.39703 -44.1970302
-9804873.154 -8022027

17.0029698 23.80297 30.6029698

17643976.52 12603469 9802970.168
\

1.024938E-17
mA = 1= 1.66E-27 m = 5.312E-26
mB = 31 = 5.146E-26 m' = 1.0458E-25
mB' = 32 = 5.312E-26
Ɵ= 93.6
Rad = 1.63362817986669
cos Ɵ = -0.06279051952931
R= 142 = 1.42E-10

mA = 1= 1.66E-27
mA' = 2= 3.32E-27
R= 147.98 = 1.4798E-10
I sejajar = 9.69355025707E-47 kg m^2
I sejajar' = 1.93871005141E-46 kg m^2 (changed)
 Symetric Rotors (XA3)

I sejajar = 7.114796E-47 kg m^2 (not changed)

I tegak lurus = 6.392809E-47 kg m^2
I tegak lurus' = 4.997607E-47 kg m^2 (Changed
mA = 1= 1.66E-27 m = 7.968E-26
mB = 12 = 1.992E-26
mC = 35 = 5.81E-26
Ɵ= 111 I sejajar = 5.5565E-47 kg m^2
Rad = 1.937315 I tegak lurus = 6.19355E-46 kg m^2
cos Ɵ = -0.358368 wavenum
rot. Konst => A^ = 503.8950572 m^-1
R= 111 ppm = 1.11E-10 m rot. Konst => B^ = 45.20660182 m^-1
R' = 178 ppm = 1.78E-10 m Freq
rot. Konst => A^ = 1.51169E+11 s^-1
rot. Konst => B^ =13561980545 s^-1

mA = 35 = 5.81E-26 m = 1.9588E-25
mB = 12 = 1.992E-26
mC = 1= 1.66E-27
Ɵ= 110 I sejajar = 4.88553E-45 kg m^2
Rad = 1.919862 I tegak lurus = 3.70018E-47 kg m^2
cos Ɵ = -0.34202 wavenum
rot. Konst => A^ = 5.730992897 m^-1
R= 177 = 1.77E-10 rot. Konst => B^ = 756.6903441 m^-1
R' = 107 = 1.07E-10 Freq
rot. Konst => A^ = 1719297869 s^-1
rot. Konst => B^ = 2.27007E+11 s^-1
 ħ =n/phi = 1.055E-34
h= 6.626E-34
C= 300000000
1 ev = 1.6021E-19
phi = 3.14
mA =Ar*1,67*^-27 kg

F1 2.778251E-47 F3.1 1.297917E-10

F2 5.672862E-48 F3.2 4.4322E-36
F3.3 3.397171E-37
5.03895057 cm^-1
0.45206602 cm^-1

1.5117E+11 Hz
1.3562E+10 Hz

phi = 3.14
mA =Ar*1,67*^-27 kg

F1 2.442765E-45 F3.1 9.067797E-13

F2 6.336008E-47 F3.2 2.078154E-35
F3.3 2.002423E-35
0.05730993 cm^-1
7.56690344 cm^-1

1719297869 Hz
2.2701E+11 Hz
mA = 14 = 2.324E-26 m= 4.98E-26
mB = 16 = 2.656E-26
Ա (miu) = 1.239467E-26 kg
R= 115 ppm = 1.15E-10 m
I= 1.639195E-46 kg m^2
J= 3 ke 4
B^ = 170.8091113 m^-1 1.708091113 cm^-1

v^ (J+1<-- J) = 13.66473 cm^-1

v = v^*C 4099418672 s^-1 = 4.09942E+11 Hz

mC = 12 meff^-1 0.145833333 mu 8.78514E+25 kg^-1

mO = 16

v= 3.47911E+11 s^-1
m1 = 127 mu = 2.1082E-25
m2 = 35 mu = 5.81E-26
meff = 27.4382716 4.554753E-26
B^ = 0.1142 cm^-1
R= 2.320093E-10 m 232.009256 pm

mC = 12 1.992E-26 kg
mO = 16 2.656E-26 kg
B^ = 0.39021 cm^-1
R= 1.162231E-10 m 116.223126 pm
vi^ = 20487 cm^-1
B^ = 1.9987 cm^-1

v^ = 20475.01 cm^-1

vi^ = 20623 cm^-1

B^ = 1.4457 cm^-1

v^ = 20602.76 cm^-1
B^ = 1.7 cm^-1
v^ = 2308 cm^-1
mH1 = 1
mH2 = 2
D^j = 3.689E-06 cm^-1
D^j = 1/mH^3 0.125

B^ = 0.0809 cm^-1
v^ = 323.2 cm^-1
mH1 = 79
mH2 = 81
D^j = 2.028E-08 cm^-1
D^j = 1/mH^3 0.92774
 B^ = 1.7 cm^-1

Jmax at E4 7.30049 T1 = 25 C 298 K

Jmax at E5 8.227064 T2 = 100 C 373 K

B^ = 0.0809 cm^-1

Jmax at E4 35.25791 T1 = 25 C 298 K

Jmax at E5 39.50538 T2 = 100 C 373 K
(w'-w)/w = ((meff/m'eff)^1/2) - 1

mNa = 23 meff = 13.87931

mCl = 35
m'Na = 23 m'eff = 14.18333
m'Cl = 37

(w'-w)/w = ((meff/m'eff)^1/2) - 1 = -0.010776 = -1.077567 %

(w'-w)/w = ((meff/m'eff)^1/2) - 1

mH = 1 meff = 0.972222
mCl = 35
m'H = 2 m'eff = 1.891892
m'Cl = 35

(w'-w)/w = ((meff/m'eff)^1/2) - 1 = -0.28314 = -28.31396 %

ΔG (v=1<--0) v^-2xev^ = 1556.22 cm^-1
ΔG (v=2<--0) 2v^-6xev^ = 3088.28 cm^-1
ΔG (v=3<--0) 3v^-12xev^

v^ = 1580.38 cm^-1
xe = 0.007644
xev^ = 12.08 cm^-1

ΔG (v=3<--0) 3v^-12xev^ = 4596.18 cm^-1

ΔG (v=1<--0) v^-2xev^ = 2345.15 cm^-1

ΔG (v=2<--0) 2v^-6xev^ = 4661.4 cm^-1
ΔG (v=3<--0) 3v^-12xev^

v^ = 2374.05 cm^-1
xe = 0.006087
xev^ = 14.45 cm^-1

ΔG (v=3<--0) 3v^-12xev^ = 6948.75 cm^-1

v 0 1 2 3 4
v^/cm^-1 1481.86 4367.5 7149.04 9826.48 12399.8
ΔG (v+1/2)/cm^-1 2885.64 2781.54 2677.44 2573.32
y=mx+C
ΔG (v+1/2)= (1-2xe)v^ - 2xev^ v
12.20 a
3000 intercept =
slope =
2900
f(x) = − 104.106 x + 2885.644 xev^ =
R² = 0.999999997785581
2800 xev^ =

2700 int = v^-2xev^

v^ = int+2xev^
2600

De = v^/4xe
2500
De = (v^)^2 / 4xev^
2400
De =
0 0.5 1 1.5 2 2.5 3 3.5 cm^-1 ke eV = dikali 1,239*10^-4
De =

Do = De-(1/2)v^
Do =
Do =

v 0 1 2 3 4
v^/cm^-1 1144.83 3374.9 5525.51 7596.66 9588.35
ΔG (v+1/2)/cm^-1 1183.413 3543.0125 5902.613 8262.213 10621.81
y=mx+C
ΔG (v+1/2)= (1-2xe)v^ - 2xev^ v
12.20 b
12000
intercept =
slope =
10000 f(x) = 2359.6 x + 1183.4125
R² = 1 xev^ =
8000 xev^ =

6000 int = v^-2xev^

4000

2000
 R² = 1
8000

6000
v^ = int+2xev^
4000

De = v^/4xe
2000
De = (v^)^2 / 4xev^
0 De =
0 0.5 1 1.5 2 2.5 3 3.5 4 4.5 cm^-1 ke eV = dikali 1,239*10^-4
De =

Do = De-(1/2)v^
Do =
Do =

Dj 1.565541E-06

0 1 2 3 4 5
0 3.399993738 10.19994 20.39977 33.99937 50.99859
v+1/2)= (1-2xe)v^ - 2xev^ v

2885.6
-104.1

slope / -2
52.05 cm^-1

2989.7 cm^-1

(v^)^2 / 4xev^
42931.34529 cm^-1
1 ke eV = dikali 1,239*10^-4
5.319193682 eV

41436.49529 cm^-1
5.133981767 eV

v+1/2)= (1-2xe)v^ - 2xev^ v

1183.4
-2359.6

slope / -2
1179.8 cm^-1
 3543 cm^-1

(v^)^2 / 4xev^
2659.952746 cm^-1
1 ke eV = dikali 1,239*10^-4
0.329568145 eV

888.4527462 cm^-1
0.110079295 eV