Photoelectron spectroscopy of the molecule and solid of 11,11,12,12-tetracyanonaphthoquinodimethane (TNAP)
β Scribed by Isao Ikemoto; Yoshiyuki Sato; Tadashi Sugano; Nobuhiro Kosugi; Haruo Kuroda; Kikujiro Ishii; Naoki Sato; Kazuhiko Seki; Hiroo Inokuchi; Takashi Takahashi; Yoshiya Harada
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 296 KB
- Volume
- 61
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The He I and Mg Ka photoelectron spectra of TNXP in the vapor and solid state were mmsured. The tirst ionization potenti& in the wpor nnd solid states are determined to be S-67 and 7.80 eV respectirely. The interpretation of the obsetved photoelectron spectra is cxried out with the aid of photoelectron spectroscopic dsta of related compounds and the results of ri CXDO/Z fltlcuhtion. The N Is pzxk of TNAP shows a shake-up satellite.
π SIMILAR VOLUMES
Lmear, cyclic and three-dimensional structures of C, , have been studied wilh ab imtio methods. At the MP2/6-3 IG(d) level, a cyclic structure is clearly the ground state, about 5 kcal/mol below the lowest linear structure. The three-dimensional structure proposed by van Vechten and Keszler is less
The He(I) photoelectron spectrum of the PN molecule, prcduccd by the vaporization of P3Ns at 1100 K, has been recordd. The assignment of the observed bands on the basis of vibrational fine structure indicates that this molecule constitutes another example of the qualitative failure of Koopmans' the