The phctoeIectron spectrum has Seen observed using He 584 a excitation. .rhssignments are made and compared with those for related molecules. . Thiazyl .fluoride, NSF, is isoefectronic with sufphur dioxide SO,. A comparison between the electronic structures of these molecules is of considerable the
The photoelectron spectrum of thiazyl cyanide, NSCN
โ Scribed by A.W. Allaf; R.L. Johnston; R.J. Suffolk
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 186 KB
- Volume
- 233
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
Thiazyl cyanide, NSCN, has been produced in a flow system by passing thiazyl chloride, NSCI, over heated silver cyanide, AgCN. The He I photoelectron spectrum of NSCN shows prominent bands at 11.33, 13.52, 14.02 and 14.97 eV, in good agreement with ab initio SCF molecular orbital calculations. The first ionisation of NSCN is attributed to the removal of an electron from the weakly bonding 8a' HOMO.
๐ SIMILAR VOLUMES
The photoclcctron spectrum of thiazyl fluoride has bccn recorded. An assignment of llic first fivc bands has bccn attempted, using semi-empirical calculations.
## Abstract The helium (I) photoelectron spectrum of C(CN)~4~ curiously displays ionizations only in two small windows from 13.8 eV to 14.5 eV and from 14.8 eV to 15.5 eV, respectively. A tentative assignment of the numerous overlapping bands โ based on a spectroscopically parametrized LCBO MO mode
## Abstract The He(I~ฮฑ~) and He(II~ฮฑ~) spectra of tetrafluorobutatriene **3**(F) have been recorded for comparison with those of butatriene **3**(H). __Ab initio__ doubleโzeta basis selfโconsistent field (SCF) and configuration interaction calculations on butatriene show that, contrary to previous
The photoelectron spectrum of H2 has been mensured with high resolution. Some individusl rotationnl lines are completely resolved and it has been possible to measure some ionization encrgks with an a~curncy of the snme order of magnitude ns in the best spectroscopic measurements. The rotationnl and
## Abstract The PE. spectrum of [18]annulene has been measured and correlated with MOโcalculations. The experimental ionization energies can only be explained by computing the electronic states of the cation, that is by taking into account the electron correlation and reorganization in the ionic st