DETERMINATION OF THE STRUCTURE OF N2.CO2 FROM ITS INFRARED-SPECTRUM

Journal article

The rotationally resolved spectrum of the nitrogen carbon dioxide dimer has been obtained in the region of the ν3 CO2 monomer vibration by diode laser absorption spectroscopy of a pulsed molecular beam. Rotational and centrifugal distortion constants within a Watson S-reduced Hamiltonian are determined. The nuclear spin statistics and rotational constants can only be interpreted in terms of a T-shaped structure with the nitrogen molecular axis pointing towards the carbon atom. This is in stark contrast to the slipped parallel geometry of the similar carbon dioxide dimer. Attractive potentials including distributed electrostatic multipole and dispersion interactions for several possible structures predicts the experimentally observed structure to be the most stable. © 1988.

Authors: Walsh, M; Dyke, T; Howard, B

• Publication status: Published
• Journal: JOURNAL OF MOLECULAR STRUCTURE
• Volume: 189
• Issue: 1-2
• Pages: 111-120
• Publication date: 1988-10-15
• DOI: 10.1016/0022-2860(88)80217-5
• ISSN: 0022-2860
• Language: English