Table 1
Spectroscopic parameters of methyl cyanate in its ground torsional state.
| Parametera | Unit | Value | Parameterb | Unit | Value | Derived parameterc | Unit | Value |
|
|
||||||||
| A | MHz | 38 989.07 (20)d | ρ | Unitless | 0.186763 (67) | I α | uÅ | 3.1962 (44) |
| B | MHz | 5322.2520 (15) | β | ° | 6.822 (19) | I r | uÅ | 2.7037 (40) |
| C | MHz | 4821.3091 (13) | ε 1 | MHz | −286.44 (43) | F | cm-1 | 6.2349 (92) |
| ΔJ | kHz | 3.40965 (66) | ε 2 | MHz | −1.32 (12) | ΔEE−A | MHz | 863.3 (15) |
| ΔJK | kHz | −81.406 (10) | [ A−(B + C)/2 ] 1 | kHz | 1127 (29) | ∠(i,a) | ° | 41.232 (83) |
| ΔK | kHz | 1727 (23) | [ A−(B + C)/2 ] 2 | kHz | −126 (16) | ∠(i,b) | ° | 48.768 (83) |
| δ J | kHz | 0.79149 (89) | [ (B + C)/2 ] 1 | kHz | −4.76 (89) | ∠(i,c) | ° | 90.0e |
| δ K | kHz | 1.72 (11) | [ (B + C)/2 ] 2 | kHz | −2.08 (14) | |||
| ΦJ | Hz | 0.01009 (28) | [ (B−C)/4 ] 1 | kHz | 4.33 (27) | |||
| ΦJK | Hz | −0.2671 (36) | [ (B−C)/4 ] 2 | kHz | 0.62 (13) | |||
| ΦKJ | Hz | −8.249 (66) | − [ ΔJ ] 1 | Hz | 1.06 (21) | |||
| φ J | Hz | 0.00457 (39) | − [ ΔJK ] 1 | Hz | −35.8 (17) | |||
| − [ δK ] 1 | Hz | −186.2 (95) | ||||||
|
|
||||||||
| σrms | kHz | 95 | ||||||
Notes.
Rotational constants A, B, C, quartic centrifugal distortion constants ΔJ, ΔJK, ΔK, δJ, δK, and sextic centrifugal distortion constants ΦJ, ΦJK, ΦKJ, φJ are given in the notation of Watson’s A-reduction scheme in Ir-representation (Watson 1977).
The value ρ is the magnitude of the ρ-vector, β represents the angle between the ρ-vector and the principal a-axis, ε1 and ε2 are the first and second energy tunneling parameters, respectively. Tunneling parameters associated with the rotational and centrifugal distortion constants are given in the notation [ X ] q, where X is a linear combination of the rotational constants or centrifugal distortion constants and the subscript q designates the tunneling component (see Groner 1997, 2012, for details).
Iα is the moment of inertia of the methyl top, Ir is the reduced moment of inertia, F is the reduced rotational constant, ΔEE−A is the torsional energy difference, and ∠(i,a), ∠(i,b), ∠(i,c) are the angles between the internal rotation axis i and the principal axis a, b, c.
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.