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Abstract: The a type transitions of the microwave rotational spectra of cyanophosphaacetylene, H2Ph name="tbnd" />Ch name="tbnd" />N, have been investigated in the frequency region between 5 and 26.5GHz by Fourier transformation microwave (FTMW) spectroscopy. Rotational, centrifugal distortion and 14N nuclear quadrupole coupling constants have been determined. Density functional theory level ab initio calculations were performed to predict the molecular constants, and the predicted values are in good agreement with our experimentally determined results. The 13C and 15N isotopomer transitions were also observed. The derived r 0 structure is quite comparable to the calculated H2Ph name="tbnd" />Ch name="tbnd" />N equilibrium geometry. [Copyright &y& Elsevier]

The rotational spectra of cyanophosphine, H2PCN, have been measured between 10 and 42.5 GHz by Fourier transform microwave spectroscopy. The rotational constants, centrifugal distortion constants, the 14N quadrupole coupling constant, and the nuclear spin–rotation coupling constants of 31P have been determined. Density functional ab initio calculations were performed, and the calculated values of the molecular constants are in excellent agreement with our experimentally determined results. The spectra of three isotopomers were measured, H2P12C14N, H2P13C14N, and H2P12C15N. The derived r0 structure is quite comparable to the ab initio predicted H2PCN equilibrium geometry. [Copyright &y& Elsevier]