Analysis of the K-Subband Structure of the nu1 Fundamental of Propargyl Radical H2CC identical withCH

L Yuan; J DeSain; RF Curl

doi:10.1006/jmsp.1997.7487

Analysis of the K-Subband Structure of the nu1 Fundamental of Propargyl Radical H2CC identical withCH

J Mol Spectrosc. 1998 Jan;187(1):102-8. doi: 10.1006/jmsp.1997.7487.

Authors

L Yuan¹, J DeSain, RF Curl

Affiliation

¹ Chemistry Department and Rice Quantum Institute, Rice University, Houston, Texas, 77005

PMID: 9473427
DOI: 10.1006/jmsp.1997.7487

Abstract

The K-subband structure of the acetylenic CH stretch fundamental, nu1, of propargyl radical, CH2CCH, has been assigned and analyzed. The K = 0, 1-, 1+, 3, 4, 5, and 6 upper state energies totaling 109 levels could be accurately fitted with Watson's fourth-order A-reduced Hamiltonian. The K = 2 subband was perturbed with the level crossing between N = 17 and 18. Copyright 1998 Academic Press. Copyright 1998Academic Press