Momentum densities for the Nz molecule are investigated. Differences between the ground state and low-lying excited states as well as the effects of ionization are discussed. The densities are calculated by taking Fourier tmnsforms of natural spin orbitals of wavefunctions calculated in a minimal ba
The electronic structures of some acyclic molecules containing phosphorus, nitrogen, and oxygen
โ Scribed by S.D. Worley; J.H. Hargis; L. Chang; G.A. Mattson; W.B. Jennings
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 499 KB
- Volume
- 79
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
The ultraviolet photoelectron spectra have been mvestgated for several acyclx molecules of general structure P(Nhlea),(OR), _x, where x = O-3 and R = hfe,Et.or Isopropyl. Band assgnments for the "lone-pm" lonlzation processes have been proposed 1~1th the ad of MNDO SCF h10 computations Tar comparison trlsdlmethylanunophosphme ovlde has also been studled.
* Complete MNDO geometnes for the molecules hsted rn table 1 wrll be supphed upon request Votume 79, number i CHEUlCAL. PHYSICS LETTERS I. Apnl 138i
๐ SIMILAR VOLUMES
CHEMISTRY AND IAJDUSTRY 1)CC. 20, 10'74 siiiiplc cell dcscribccl above siifficcs, although it iiiay bc often iiccessary t o fit such cclls witli i~ gas-tight covcr, rcflusing apparatus nricl n good stirrer in order to obtain satisfactory rcsults. licccnt pntents of C. J. !l'liatclicr for n dinplirng
The vibrational structure of the (Is)-' (r;2p)' Il inner shell excited state of Nz has been observed, enabling the decay wdfh and the shape of the potcntlal iunction of the state to bc dcduccd. 1hc v&dlty of the equivalent cure model is discussed.