Table 1. Experimental spectroscopic parameters for syn- and anti- glycolamide.
| Parameters | syn (DR) | anti |
|---|---|---|
| A (a) (MHz) | 10454.2640 (15) (e) | 9852.6242 (22) |
| B (MHz) | 4041.15663 (54) | 4125.1664 (15) |
| C (MHz) | 2972.07394 (59) | 2967.57976 (75) |
| ∆J (kHz) | 0.7723 (59) | 0.700 (38) |
| ∆K (kHz) | 2.224 (74) | 3.45 (28) |
| ∆JK (kHz) | 6.98 (46) | 3.3 (8) |
| δJ (kHz) | 0.2061 (21) | 0.27 (2) |
| δK (kHz) | 2.082 (65) | - |
| χaa (b) (MHz) | 2.050 (4) | 1.618 (5) |
| χbb (MHz) | 1.930 (6) | 2.020 (10) |
| χcc (MHz) | -3.981 (6) | -3.638 (10) |
| N (c) | 97 | 46 |
| σ (d) (kHz) | 21.3 | 15.6 |
Notes.
(a)
A, B, and C represent the rotational constants.
(b)
χaa, χbb, χcc are the diagonal elements of the 14N nuclear quadrupole coupling tensor.
(c)
N is the number of measured hyperfine components.
(d)
σ is the root mean square (rms) deviation of the fit.
(e)
Standard error in parentheses in units of the last digit.