Watson's Determinable Parameters |
H16O19F a [MHz] |
D16O19F a [MHz] |
---|---|---|
A″ | 585 631.428(159) | 316 096.061(45) |
B″ | 26 760.6692(120) | 25 593.2238(30) |
C″ | 25 515.0321(95) | 23 589.5489(27) |
τ1 | -10.7853(20) | -7.884 041(1459) |
τ2 | -0.763 475 7(4589) | -0.757 095 6(1334) |
τ3 b | 202.79(20) | 65.172(9) |
τaaaa | -340.301(393) | -106.496(29) |
τbbbb | -0.411 244 7(2611) | -0.363 276 6(463) |
τcccc | -0.342 228 6(5482) | -0.268 392 5(417) |
Std. dev. | 0.150 | 0.074 |
No. lines fit | 46 | 40 |
Derived Parameters (assuming planarity conditions) |
||
A′ | 585 631.24(16) | 316 095.907(44) |
B′ | 26 760.264(53) | 25 593.117(3) |
C′ | 25 510.233(50) | 23 585.868(3) |
τbbcc′ | -0.376 40(30) | -0.308 17(5) |
τccaa′ | -0.810(113) | -0.2135(26) |
τaabb′ | -9.599(112) | -7.3623(28) |
τaabb(1) | -0.1267(1236) | 0.4806(32) |
τaabb(2) | 0.864(99) | 0.1504(15) |
τaabb(3) | 0.864(99) | 0.1504(15) |
τabab(1) | -4.74(12) | -3.921(3) |
τabab(2) | -5.67(10) | -3.6137(13) |
τabab(3) | -5.73(10) | -3.5897(15) |
Δτ | 0.003 69(80) | -0.003 327(40) |
a The uncertainties quoted are one standared deviation as estimated by the least squares fit. The number of significant figures quoted are necessary to reproduce the calculated transition frequencies within their standard deviations.b Strictly speaking, τ3 is not a determinable parameter, but is calculated from τ1, τ2, τaaaa, and τbbbb using the planarity conditions.
Parameters | H16O19F | D16O19F | Ref. |
---|---|---|---|
à [MHz] | 585 631.20(14) | 316 096.02(6) | 72030 |
[MHz] | 26 760.31(12) | 25 593.91(1) | |
[MHz] | 25 510.19(12) | 23 585.28(1) | |
ΔJ [MHz] | 0.094 14(9) | 0.079 04(3) | |
ΔJK [MHz] | 2.4146(6) | 1.7349(9) | |
ΔK [MHz] | 82.52(8) | 24.82(1) | |
δJ [MHz] | 0.004 32(1) | 0.005 93(1) | |
δK [MHz] | 1.12(6) | 1.183(2) | |
gaa (µN) | 0.642(1) | 73034 | |
gbb (µN) | -0.119(1) | ||
gcc (µN) | -0.061(1) | ||
2χaa - χbb - χcc a | -19.6(6) | ||
2χbb - χaa - χcc a | 12.8(12) | ||
µa [C · m] µa [D] |
0.37(10) |
0.28(10) |
|
µb [C · m] µb [D] |
2.20(10) |
2.22(10) |
* Including rotational analysis of Pearson and Kim
[72030].
a In units erg/G2 · mol. |