CH2   X 3B1   -   Methylene Radical

Molecular Parameters for CH2

Parameter a (000) State Ref. (010) State Ref.
ν0 (cm-1)         963.09866(41) 82033
A (cm-1) 73.05775(11) 82034 184.122 63(82)
B (cm-1) 8.415 172(76) 8.362 16(15)
C (cm-1) 7.219 272(45) 7.092 84(20)
ΔK (cm-1b 1.991 049(47) 23.969 b
ΔNK (cm-1) -0.019 660(27) -0.078 89(14)
ΔN (cm-1) 0.000 301 3(34) 0.000 162(18)
δN (cm-1) 0.1012(12) x 10-3 0.1012 x 10-3 c
ΦK (cm-1) 0.0 1.52 b
ΦKN (cm-1) -0.001 941 7(21) 0.0
ΦNK (cm-1) 0.1281(186) x 10-4 -4.671(57) x 10-4
ΦN (cm-1) 0.251(59) x 10-6 0.78(58) x 10-6
φN (cm-1) 0.195(30) x 10-6 0.0
D (cm-1) 0.778 42(14) 0.795 60(48)
E (cm-1) 0.039 906(38) 0.035 40(53)
εaa (cm-1) 0.000 446(78) 0.003 52(54)
εbb (cm-1) -0.005 148(18) -0.004 70(23)
εcc (cm-1) -0.004 106(27) -0.004 58(21)
aFC [MHz] -20.26(51)    
Taa [MHz] 39.7(17)
Tbb [MHz] -20.2(19)

 

a Parameters not given were fixed at zero. The numbers in parentheses are one standard deviation from the least-squares fit in units of the last quoted digit.
 
b ΔK and ΦK were fixed at values determined from the semi-rigid bender model.
 
c δN was fixed at its ground (000) state value.

 

 

Molecular Parameters for 13CH2

Parameter a (000) State (010) State Ref.
ν0 (cm-1)     959.1674(2) 83049
A (cm-1) 72.627 b 181.234 23(143)
B (cm-1) 8.415 767(67) 8.370 93(76)
C (cm-1) 7.208 087(390) 7.076 65(73)
ΔK (cm-1) 2.583 b 23.657 b
ΔNK (cm-1) -0.019 66 c -0.078 89 c
ΔN (cm-1) 0.2569(156) x 10-3 0.162 x 10-3 c
δN (cm-1) 0.1569(156) x 10-3 0.3948(307) x 10-3
ΦK (cm-1) 0.127 b 1.50 b
ΦKN (cm-1) -0.194 17 x 10-2 c 0
ΦNK (cm-1) 0.1281 x 10-4 c -0.4671 x 10-3 c
ΦN (cm-1) 0.251 x 10-6 c 0.78 x 10-6 c
φN (cm-1) 0.195(30) x 10-6 c 0
D (cm-1) 0.780 05(130) 0.797 67(37)
E (cm-1) 0.041 76(53) 0.038 39(137)
εaa (cm-1) 0.0446 x 10-2 c 0.352 x 10-2 c
εbb (cm-1) -0.5148 x 10-2 c -0.470 x 10-2 c
εcc (cm-1) -0.4106 x 10-2 c -0.458 x 10-2 c
aFC (cm-1) 0.7955(185) x 10-2 0.7330(209) x 10-2
Taa (cm-1) -0.2173(748) x 10-2 -0.2771(448) x 10-2

 

a Parameters not given were fixed at zero. The numbers in parentheses are one standard deviation from the least-squares fit in units of the last quoted digit.
 
b These parameters were fixed at values determined from a fit to non-rigid bender calculations for 13CH2 by Jensen et al. [82032].
 
c These parameters were fixed to 12CH2 values.

 

 

CD2   X 3B1   -   Methylene Radical

Molecular Parameters for the (000) and (010) Vibrational Levels of CD2 in its Ground Electronic State

Parameter (000) State a (010) State b Ref.
ν0 (cm-1)     752.3795(4) 84028
A (cm-1) 37.786 829(60) 70.455 24(38)
1/2(B+C) (cm-1) 3.962 159(12) 3.930 017(27)
1/2(B-C) (cm-1) 0.267 57(10) 0.3029(46)
ΔK (cm-1) 0.560 228(16) 4.991 843(60)
ΔNK (cm-1) -0.497 53(79) x 10-2 -0.019 590(62)
ΔN (cm-1) 0.092 42(63) x 10-3 0.1052(52) x 10-3
δK (cm-1) 0.2783(50) x 10-2 1.71(23) x 10-2
δN (cm-1) 0.2231(23) x 10-4 0.232(18) x 10-4
ΦK (cm-1) 0.0196 c 0.278 c
ΦKN (cm-1) -0.2433(19)  x 10-3 -2.3749(66) x 10-3
ΦNK (cm-1) -0.189(18) x 10-5 -0.189 x 10-5 d
ΦN (cm-1) e e
D (cm-1) 0.776 466(93) 0.789 35(24)
E (cm-1) 0.040 580(65) 0.037 27(24)
εaa (cm-1) 0.282(36) x 10-3 c 0.585(90) x 10-3 c
1/2(εbb+εcc) (cm-1) -0.2342(19) x 10-2 c -0.2420(48) x 10-2 c
1/2(εbb-εcc) (cm-1) 0.262(18) x 10-3 0.28(8) x 10-3
 
a From a fit to the previous far-infrared LRM data [83050] with the addition of the measurements of the 523 ← 514 transition.
 
b From a fit to ν2-band diode-laser measurements [83055] and the data of [84028]. For both states, magnetic g values were fixed at theoretical values, and the numbers in parentheses are one standard deviation from the least-squares fit expressed units of the last quoted digit.
 
c Fixed at a value determined from the energy levels given by Bunker and Jensen [83048].
 
d Fixed at the ground-state value.
 
e This parameter and all others not listed were fixed at zero.


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