Table 3
Spectroscopic parameters X (MHz) of anti-n-propyl cyanide and first (ΔX) and second (ΔΔX) changes of low-lying vibrational states and parameters describing the interaction between ν18 = 1 and ν30 = 2.
Parameter | ν= 0 | ν30 = 1 | ν30 = 2 | ν18 = 1 | ν29 = 1 | |||||
X | ΔX | ΔΔX | ΔX | ΔX | ||||||
|
||||||||||
A | 23 668 .319 3(14) | −810 .855(12) | 93 .495(77) | 738 .035(75) | −0 .702(137) | |||||
B | 2268 .146 89(15) | 1 .451 97(7) | 0 .163 73(12) | 5 .158 11(20) | −2 .318 97(14) | |||||
C | 2152 .963 95(17) | 5 .005 71(6) | 0 .158 67(29) | 1 .975 84(33) | −1 .495 34(14) | |||||
DK × 103 | 240 .65(3) | −263 .6(80) | ||||||||
DJK × 103 | −10 .826 3(9) | 0 .496 8(5) | 0 .138 0(12) | −0 .354 6(11) | 0 .092 4(9) | |||||
DJ × 106 | 398 .67(7) | 7 .94(3) | −1 .80(8) | −0 .45(6) | ||||||
d1 × 106 | −46 .64(4) | 1 .45(3) | −1 .14(9) | |||||||
d2 × 106 | −0 .590(6) | 2 .416(24) | −1 .760(52) | |||||||
HK × 106 | 2 .5 | |||||||||
HKJ × 109 | 372 .4(24) | 63 .5(14) | 17 .a | 63 .1(39) | ||||||
HJK × 109 | −20 .67(20) | |||||||||
HJ × 109 | 0 .353(11) | |||||||||
h1 × 109 | 0 .117(14) | |||||||||
χaa | −3 .440(4) | |||||||||
χbb | 1 .385(5)b | |||||||||
χcc | 2 .055(5)b | |||||||||
Interaction ν18 = 1/ν30 = 2 | ||||||||||
E(302−18) × 10-3 | 1017 .98(61) | |||||||||
F(18,302) × 10-3 | 36 .48(44) | |||||||||
Gc(18,302) | 129 .32(16) |
Notes. Watson’s S reduction has been used in the representation Ir. Ground state parameters are from Belloche et al. (2009) except quadrupole parameters which are from Vormann & Dreizler (1988). Numbers in parentheses are one standard deviation in units of the least significant figures. Parameters without uncertainties were estimated and kept fixed in the analyses. ΔX = Xν= 1 − X0; ΔΔX = Xν= 2 − X0 − 2ΔX.
Estimated value, see Sect. 4.2.3.
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