Figure 2. Simulated rotational spectra of global conformer
EQ0# of Leucine: Experimental spectrum (depicted in
red) is simulated using the rotational parameters taken from Ref.
[29], whereas the computed spectrum (depicted in black) is simulated
using rotational parameters computed in the present work (see Table 2).
The spectra are simulated in the frequency range of 4000MHz to 18000MHz
at a temperature of 10 K. For simplicity, hyperfine splitting is not
included in the simulated spectra.
Table 3. Scaled rotational constants (in MHz) for species
depicted in Figure 1. The scaling factors employed are obtained with
reference to the known experimental values of EQ0# (for
details, see the text).