H2O

Rotational and centrifugal distortion constants
for H216O, H217O, and H218O

Parameters H216O Value
[MHz]
Ref. H217O Value a
[MHz]
Ref. H218O Value
[MHz]
Ref.
script A 835 840.288(1000) 74005 b 830 282.838 ± 8.7 75009 825 366.08 ± 8.7 74005 c
script B 435 351.717(900) 435 341.662 ± 8.0 435 331.59 ± 8.0
script C 278 138.700(900) 277 510.396 ± 8.0 276 950.46 ± 8.0
ΔJ 37.594 22 ± 0.049 37.444 01 37.2938 ± 0.30
ΔJK -172.9128 ± 0.34 -171.5584 -170.204 ± 1.3
ΔK 973.290 52 ± 0.19 965.7665 ± 2.3 959.6441 ± 2.3
δJ 15.210 402 ± 0.020 15.226 75 15.2431 ± 0.21
δK 41.0502 ± 0.30 36.2566 31.463 ± 1.2
HJ (1.565 56 ± 0.039)  10-2 1.488 78  10-2 (1.412 ± 0.34)  10-2
HJK (-4.2081 ± 1.1)  10-2 -2.104 05  10-2  
HKJ (-5.095 08 ± 0.21)  10-1 -4.810 54  10-1 (-4.5260 ± 0.71)  10-1
HK 3.733 028 ± 0.015 4.409 069 5.085 11 ± 0.24
hJ (7.795 79 ± 0.18)  10-3 7.844 745  10-3 (7.8937 ± 1.1)  10-3
hJK (-2.5165 ± 0.22)  10-2 -2.116 25  10-2 (-1.716 ± 2.8)  10-2
hK 1.0971 ± 0.052 5.4855  10-1  
LJK (-3.0647 ± 0.93)  10-3 1.532 35  10-3
LKKJ (1.029 52 ± 0.24)  10-2 5.1476  10-3
LK (-2.340 138 ± 0.15)  10-2 -5.966 754  10-2 (-9.593 37 ± 0.83)  10-2
K (-1.3546 ± 0.20)  10-2 4.982  10-3 (2.351 ± 0.24)  10-2
PK (5.198 41 ± 0.15)  10-5 7.505 42  10-4 (1.449 ± 0.13)  10-3
pK (3.7603 ± 2.1)  10-5 1.880 15  10-5  

a All distortion constants except ΔK were calculated from H216O and H218O constants.

b See reference [72049].

c See reference [72050].

 

Rotational and centrifugal distortion constants
for HDO and HTO

Parameters HDO Value
[MHz]
Ref. HTO Value
[MHz]
Ref.
script A 701 931.502 ± 0.22 74005 a 677 849.040 ± 0.17 74037
script B 272 912.599 ± 0.11 198 197.489 ± 0.128
script C 192 055.245 ± 0.10 150 462.412 ± 0.128
ΔJ 10.837 49 ± 0.0058 5.212 023 ± 0.003
ΔJK 34.207 29 ± 0.037 48.522 76 ± 0.02
ΔK 377.078 28 ± 0.026 271.275 33 ± 0.06
δJ 3.647 126 ± 0.0014 1.414 126 ± 0.0005
δK 63.087 50 ± 0.035 51.328 33 ± 0.07
HJ (1.1275 ± 0.099)  10-3 (5.190 72 ± 0.4)  10-4
HJK (7.3435 ± 0.091)  10-2 (3.943 27 ± 0.06)  10-2
HKJ (-2.740 667 ± 0.022)  10-1 (-6.347 43 ± 0.18)  10-2
HK 1.465 159 ± 0.0027 0.896 3777 ± 0.011
hJ (6.5461 ± 0.15)  10-4 (1.7818 ± 0.08)  10-4
hJK (3.0963 ± 0.037)  10-2 (1.7126 ± 0.02)  10-2
hK (5.549 51 ± 0.055)  10-1 (5.383 48 ± 0.13)  10-1
LJ (2.1939 ± 0.40)  10-6  
LJK (-7.456 85 ± 0.45)  10-4 (-5.429 21 ± 0.3)  10-4
LKKJ (2.865 75 ± 0.091)  10-3 (1.985 79 ± 0.08)  10-3
LK (-7.557 072 ± 0.10)  10-3 (-8.340 15 ± 0.7)  10-3
KJ   (-9.1126 ± 2.0)  10-5
K (-5.694 61 ± 0.24)  10-3 (-8.1573 ± 0.7)  10-3
PK (1.904 59 ± 0.10)  10-5 (1.104 22 ± 0.17)  10-4
pK (1.4074 ± 0.39)  10-5 (5.956 55 ± 1.1)  10-5

a See reference [71037]


Rotational and centrifugal distortion constants for DTO and T2O

Parameters DTO Value
[MHz]
Ref. T2O Value
[MHz]
Ref.
script A 410 174.145 ± 0.078 74037 338 810.923 ± 0.076 73058
script B 172 101.952 ± 0.045 145 665.417 ± 0.044
script C 119 127.850 ± 0.045 100 259.415 ± 0.044
ΔJ 5.199 034 ± 0.003 4.145 597 ± 0.0014
ΔJK -15.504 11 ± 0.015 22.038 98 ± 0.008
ΔK 180.310 52 ± 0.010 144.137 66 ± 0.006
δJ 1.941 256 ± 0.0010 1.609 823 ± 0.0008
δK 12.8893 ± 0.012 5.440 92 ± 0.01
HJ (5.9488 ± 0.7)  10-4 (5.5745 ± 0.18)  10-4
HJK (4.1358 ± 0.8)  10-3 (-2.4519 ± 0.18)  10-3
HKJ (-6.444 26 ± 0.10)  10-2 (-2.734 25 ± 0.034)  10-2
HK (3.466 981 ± 0.009)  10-1 (2.036 106 ± 0.003)  10-1
hJ (2.9687 ± 0.16)  10-4 (2.6829 ± 0.10)  10-4
hJK (2.962 ± 0.42)  10-3 (2.774 ± 2.4)  10-4
hK (8.087 15 ± 0.16)  10-2 (3.636 85 ± 0.04)  10-2
LJJK (1.3294 ± 0.4)  10-5  
LKKJ (1.7846 ± 0.2)  10-4
LJK   (1.9022 ± 0.24)  10-5
LK (-8.214 27 ± 0.2)  10-4 (-3.777 89 ± 0.04)  10-4
J   (7.001 ± 5.0)  10-8
K (-6.7028 ± 0.7)  10-4  
JK   (-3.143 ± 1.4)  10-6
PJJK (-6.0406 ± 1.3)  10-8  
PKJ   (1.6559 ± 0.6)  10-7
PK (5.5117 ± 0.32)  10-7
pK (6.1777 ± 0.8)  10-6  
pKKJ   (-3.4123 ± 1.0)  10-7



Rotational and centrifugal distortion constants
for D216O

Parameters D216O   (0, 0, 0) State
[MHz]
D216O   (0, 1, 0) State
[MHz]
Ref.
script A 462 278.854(52) 498 730(24) 73057
script B 218 038.233(33) 220 039(14)
script C 145 258.022(21) 143 611(6)
τxxxx -66.654(11) -74.1(7)
τyyyy -7.650(4) -7.67(24)
τzzzz -963.936(68) -1491.2(37)
τ1 71.429(76) 101.0(32)
τ2 -51.107(79) -17.5(56)
HJ 0.174(2)  10-2  
HJK -0.776(41)  10-2
HKJ -7.862(57)  10-2
HK 55.527(42)  10-2 1.05(3)
hJ 0.181(1)  10-2  
hJK -0.266(17)  10-2
hK 11.824(134)  10-2
GKJK -0.154(16)  10-3
GKJ 0.612(42)  10-3
GK -1.923(29)  10-3
gK -0.660(42)  10-3
F2 -0.133(27)  10-6
F3 4.991(64)  10-6
F5 -0.098(2)  10-7
Kivelson-Wilson Rotational Constants
A 462 291.698 498 746 73057
B 217 982.286 219 960
C 145 301.126 143 672



Rotational and centrifugal distortion constants
for D217O and D218O

Parameters D217O Value a
[MHz]
D218O Value a
[MHz]
Ref.
script A 456 766.850(250) 451 891.921(530) 73056
script B 218 041.011(160) 218 045.181(280)
script C 144 701.487(58) 144 201.681(140)
τxxxx -66.219(44) -66.653(83)
τyyyy -7.405(18) -7.537(45)
τzzzz -938.124(240) -920.459(50)
τ1 72.050(270) 67.238(550)
τ2 -47.660(280) -49.030(570)
HJ 0.174  10-2 0.174  10-2
HJK -0.776  10-2 -0.776  10-2
HKJ -7.723(46)  10-2 -7.049(120)  10-2
HK 0.536 55(35) 0.517 73(77)
2hJ 0.181  10-2 0.177(1)  10-2
hJK -0.266  10-2 -0.266  10-2
hK 0.116 36(63) 0.10905(150)
GKJK -0.154  10-3 -0.154  10-3
GKJ 0.612  10-3 0.612  10-3
GK -1.862(4)  10-3 -1.834(1)  10-3
gK -0.660  10-3 -0.660  10-3
F2 -0.133  10-6 -0.133  10-6
F3 4.867(2)  10-6 4.991  10-6
F5 -0.098  10-7 -0.098  10-7
Kivelson-Wilson Rotational Constants
A 456 779.808 451 905.017 73056
B 217 985.875 217 990.613
C 144 743.666 144 243.154

a In cases where no uncertainties are indicated the values were fixed at those obtained for D216O.


Rotational and centrifugal distortion constants
for HD18O and the (0,1,0) state of HD16O

Parameters HD18O Value
[MHz]
Ref. HD16O   (0,1,0) state
[MHz]
Ref.
script A 692 872.91(879) 70059 764 781(48) 71035
script B 271 598.61(201) 276 856(16
script C 190 714.17(280) 189 567(14)
τxxxx -70.04(24) -81.66(50)
τyyyy -13.043(220) -12.85(40)
τzzzz -1599.58(275) -2953.0(93)
τ1 -268.61(265) -265.5(35)
τ2 -115.86(357) -49.2(37)
HJ 0.001 61(49)  
HJK 0.0516(42)
HK 0.582(72) 3.22(11)
2hJ 0.000 88(20)  
hJK 0.0666(66)
hK 0.225(30)
GJK 0.0103(13) -0.0156(15)
Kivelson-Wilson Rotational Constants
A 692 883.9 70059 764 798 71035
B 271 530.5 276 745
C 190 771.3 189 662



Hyperfine constants for various isotopic species of H2O in individual rotational states

Isotopic
Species
Rotational
State
eQq (D) [kHz] c (D) [kHz] c (H) [kHz] Ref.
H216O 616   -32.70 a 67014
523 -31.75 a
HD16O 220 80.10(3) -2.07(1) -42.38(2) 67023
221 79.16(3) -2.04(1) -43.23(3)
743 -15.65(20) -3.16(3) -26.15(5) 68014
744 -15.65(20) -3.16(3) -26.15(5)
D2O 313 -72.92(2) -2.62(1)   67023
220 49.57(2) -2.80(1)
441 78.5(1) -2.86(3) 68014
532 8.3(1) -2.60(2)
 
a Kukolich [69033] obtained the following values c (616) = -32.78(30) kHz, c (523) = -31.84(30) kHz, D (616) = -14.63(30) kHz, and D (523) =  0.89(30) kHz, where D is the spin-spin interation.

 

 

Diagonal components of the hyperfine tensors for H2O isotopic forms

Isotopic
Species
Atom χaa
[kHz]
χbb
[kHz]
χcc
[kHz]
Maa
[kHz]
Mbb
[kHz]
Mcc
[kHz]
Ref.
H216O H   -35.14(15) -30.68(30) -32.68(16) 67024
HD16O H -56.81(30) -8.80(8) -23.28(10)
D -1.07(1) -4.32(4) -3.57(2)
D216O D 307.91(14) a -133.13(14) a -174.78(20) a -2.99(1) -2.36(2) -2.64(1) 6702467023
H217O 17O -8899. -1269. 10 169.   75009
HD17O 17O -7877.8 -2229. 10 106.8 7305669031
D217b 17O -8896.4 -1210.4 10 106.8 73056

a These quadrupole tensor components are along an axis system defined by P.W. Posener [Aust. J. Phys. 13, 168 (1960)] with the aa direction close to the OD bond direction.

b Calculated from the HD17O values.




Zeeman constants and electric dipole moment for H2O

Parameters H216O Value HD16O Value D216O Value Ref.
µa [C · m]
     µa [D]
  2.191(1)  10-30 
     0.6567(4)
  73059
µb [C · m]
     µb [D]
6.1863(13)  10-30 
     1.8546(4)
5.777(3)  10-30 
     1.7318(9)
6.1859(13)  10-30 
     1.8545(4)
7305973060
gaa (µN) 0.6650(20) 0.623 a 0.3233(10) 69033
gbb (µN) 0.7145(20) 0.408 a 0.3580(10)
gcc (µN) 0.6465(20) 0.438 a 0.3226(10)
2χaa-χbb-χcc b   -2.3(10)  10-6
2χbb-χcc-χaa b -1.1(6)  10-6

a See reference [53015]

b Units are erg/G2 · mol.

Additional references for H2O

Microwave Spectrum Stark
Effect
Zeeman
Effect
Hyperfine
Structure
Pressure
Broadening
Line Width
Other
46001 
46002 
46003 
47006 
49010 
53013 
53014 
53016 
53018
54006 
54012 
55011 
66030 
66031 
70053 
71005 
74043
48010 
72051 
72052 
75008
49011 
51008 
51009 
63020 
65021 
69035
59014 
60006 
64020
65022 
69030 
69032 
69034 
69051 
71027
54011 
62003 
67025 
69052 
69053 
70054


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