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Table 1
Spectroscopic parameters of the two conformers of HCSSH.
Constants | Units | trans-HCSSHa | trans-HCSSHb | cis-HCSSHa | cis-HCSSHb |
---|---|---|---|---|---|
A0 | MHz | 49206.11(21)c | 49227.(86) | 48572.439(66) | 48947.(380) |
B0 | MHz | 3447.53432(37) | 3447.5312(89) | 3498.74789(67) | 3498.719(24) |
C0 | MHz | 3219.47256(37) | 3219.4954(96) | 3261.42278(62) | 3261.433(30) |
DJ | kHz | 1.063389(64) | 1.10(10)d | 1.27724(14) | 1.02(42)d |
DJK | MHz | −0.0389438(19) | −0.03905(24)d | −0.0470807(33) | −0.0484(12)d |
DK | MHz | 1.376(33) | 1.412(17) | ||
d1 | kHz | −0.119787(80) | −0.14900(20) | ||
d2 | Hz | −3.609(38) | −4.343(28) | ||
HJ | Hz | 0.0005714(64) | 0.001169(25) | ||
HJK | Hz | −0.00573(31) | −0.03601(50) | ||
HKJ | Hz | −4.216(15) | −4.109(20) | ||
h1 | Hz | 0.0001673(96) | 0.000288(38) | ||
LKKJ | Hz | 0.000447(27) | |||
Ic − (Ib + Ia) | amu Å2 | 0.0185 | 0.0173 | ||
σw | 0.936 | 0.933 | |||
No. of lines | 204 | 25 | 139 | 19 |
Notes. The results of this study are compared with those of Bak et al. (1978). (a) This work. (b) Bak et al. (1978). (c) Standard error in parentheses are in units of the last digit. (d) Calculated using the Watson A-reduction for asymmetric top molecules.
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