HOF

Rotational and centrifugal distortion constants for HOF and DOF from the present analysis

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)
1	-10.7853(20)	-7.884 041(1459)
2	-0.763 475 7(4589)	-0.757 095 6(1334)
3 b	202.79(20)	65.172(9)
aaaa	-340.301(393)	-106.496(29)
bbbb	-0.411 244 7(2611)	-0.363 276 6(463)
cccc	-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)
bbcc	-0.376 40(30)	-0.308 17(5)
ccaa	-0.810(113)	-0.2135(26)
aabb	-9.599(112)	-7.3623(28)
aabb(1)	-0.1267(1236)	0.4806(32)
aabb(2)	0.864(99)	0.1504(15)
aabb(3)	0.864(99)	0.1504(15)
abab(1)	-4.74(12)	-3.921(3)
abab(2)	-5.67(10)	-3.6137(13)
abab(3)	-5.73(10)	-3.5897(15)
	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, ₃ is not a determinable parameter, but is calculated from ₁, ₂, _aaaa, and _bbbb using the planarity conditions.

Molecular parameters for HOF ^*

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)
J [MHz]	0.094 14(9)	0.079 04(3)
JK [MHz]	2.4146(6)	1.7349(9)
K [MHz]	82.52(8)	24.82(1)
J [MHz]	0.004 32(1)	0.005 93(1)
K [MHz]	1.12(6)	1.183(2)
gaa (µN)	0.642(1)		73034
gbb (µN)	-0.119(1)
gcc (µN)	-0.061(1)
2aa - bb - cc a	-19.6(6)
2bb - aa - cc a	12.8(12)
µa [C · m]      µa [D]	1.23(33) x 10-30       0.37(10)	0.93(33) x 10-30       0.28(10)
µb [C · m]      µb [D]	7.34(33) x 10-30       2.20(10)	7.41(33) x 10-30       2.22(10)

 

* Including rotational analysis of Pearson and Kim [72030]. a In units erg/G2 · mol.