The UNT College of Arts and Sciences educates students in traditional liberal arts, performing arts, sciences, professional, and technical academic programs. In addition to its departments, the college includes academic centers, institutes, programs, and offices providing diverse courses of study.
Article on an ab initio study of the ionization of sodium superoxide.
Physical Description
2 p.
Notes
Abstract: Structures and frequencies of 1 A 1 and 3Σ NaO+ 2 were calculated at the HF/6‐31G level, and energies at the MP4/6‐31G level. Predicted IPs for NaO2 are 8.86 and 7.35 eV, respectively. The barrier to exothermic dissociation of the 3Σ ion to Na++O2 is about 4 kJ mol−1.
This article is part of the following collection of related materials.
UNT Scholarly Works
Materials from the UNT community's research, creative, and scholarly activities and UNT's Open Access Repository. Access to some items in this collection may be restricted.