ISSN:
1573-9171
Keywords:
photoelectron spectrum
;
semiempirical quantum-chemical calculations
;
1,5,2-diazaphosphorinine
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The π-orbital structure of the monomeric form of the 2,2,4,6-tetrachloro-2,2-dihydro-1,5,2-diazaphosphorinine has been studied by photoelectron spectroscopy and using quantum-chemical calculations by the semiempirical AM1 method. It has been concluded that the electronic and energy characteristics of four higher π-MOs (frontier and three next orbitals) of this compound may be interpreted in terms of semipolar bonds formed by three atoms (C, P, and N). For describing two low-lying π-MOs of the σ4,λ5-phosphorine studied, it is necessary to take into account the π-σ-interaction.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01431297
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