Formamide-formic acid complex. The angle is the sum of the for the monomer plus the deviation from the structure fit. The fifth variable is not shown; it is the z-component (out of plane coordinate) of H2.
Predicted and experimental values for molecular geometry parameters, rotational constants, and quadrupole coupling constants using .
Comparison of Mulliken charges on the atoms calculated for the monomer and the complex using in units of (e).
Rotational transition frequencies measured for the normal isotopologue, , and with deviations from the best fit values in megahertz.
Measured rotational transition frequencies (megahertz) for four isotopologues of . The first group is a-dipole transitions and the second b-dipole transitions.
Experimental rotational constants (megahertz) and centrifugal distortion (kilohertz) constants. Values in square brackets [ ] were held constant.
Experimental rotational and quadrupole coupling constants for and in megahertz except for N (number of lines) and .
Best fit results for the adjustable parameters used in the structure fit.
Atomic coordinates in the principal-axis system determined by the least-squares structure fit, Kraitchman analysis, and as predicted by CCSD in angstrom.
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