Molecular Structures of N,N'-Dimethylbenzimidazoline-2-germylene and -stannylene in Solution and in Solid State by Means of Optical (Raman and UV-vis) Spectroscopy and Quantum Chemistry Methods.
Inorg Chem
; 55(10): 4698-700, 2016 05 16.
Article
em En
| MEDLINE
| ID: mdl-27139931
ABSTRACT
X-ray data obtained for germylene 1 evidence its monomeric structure, unlike that of stannylene 2, which had been shown previously to form a coordination dimer. Raman spectra of solid and liquid 1 are identical, whereas the Raman spectra of solid 2 and its solution 2a differ significantly. The spectrum of 2 is complicated and contains the lines corresponding to N â Sn coordination bonds forming a dimer. The spectrum of 2a is simpler and close to that of monomeric 1, thus pointing to the rupture of the dimer in solution. The UV-vis spectrum of solid 2 exhibits a band corresponding to a transition involving the N â Sn coordination bonds. Quantum theory of atoms in molecules data estimate the energy of this bond as â¼19 kcal/mol. The aromaticity of 1 and 2 with their 10 π-electron systems including divalent Ge or Sn atoms is confirmed by negative nucleus-independent chemical shift values.
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Base de dados:
MEDLINE
Idioma:
En
Revista:
Inorg Chem
Ano de publicação:
2016
Tipo de documento:
Article
País de afiliação:
Federação Russa