Chemistry Journal of Moldova

2016 Volume 11, no.2

STRUCTURAL DISTORTIONS OF COORDINATED KETENE MOLECULE INDUCED BY THE PSEUDO JAHN-TELLER EFFECT

Author(s):

Natalia Gorinchoy


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.2
Pages: 99-104
Keywords: Pseudo Jahn-Teller effect, orbital charge transfers, ketene excited states, metal ketene complex.
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DOI:
 dx.doi.org/10.19261/cjm.2016.11(2).09
 
Abstract (PDF)
Graphical Abstract: It is shown that the only reason of structural distortions of ketene molecule coordinated in the complexes VCp2-H2C2O (I) and Pt(PPh3)2-H2C2O (II) is the pseudo Jahn-Teller effect induced by the orbital charge transfers by coordination. The η2-(C-O) coordination and the in-plane distortion of ketene in the complex (I) is due to the PJTE induced by the back donation to its LUMO 3b2. The η2-(C-C) coordination mode, and the out-of-plane distortion of the molecule in the complex (II) is caused by two OSTs: from the HOMO 2b1 to the metal, and from the dxy-AO of Pt to the vacant 3b1 MO of ketene, thus being the result of the diorbital Pt-ketene interaction.

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GC-MS ANALYSIS OF THE ESSENTIAL OIL OF SATUREJA SUBSPICATA BARTL. EX VIS. OF MOLDOVAN ORIGIN

Author(s):

Ion Dragalin, Aculina Aricu, Nina Ciocarlan, Alexandru Ciocarlan, Victoria Codita


Field: Natural product chemistry and synthesis
Type: Short communication
Issue: 2016 Volume 11, no.2
Pages: 105-108
Keywords: Satureja subspicata L., essential oil, chemical profile, GC-MS analysis.
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DOI:
 dx.doi.org/10.19261/cjm.2016.11(2).06
 
Abstract (PDF)
Graphical Abstract: For the first time the results of GC-MS analysis of Satureja subspicata L. oil of Moldovan origin are reported. The chemical profile includes forty-four constituents and consists mostly (97.86%) of phenolic monoterpenes, monoterpene hydrocarbons, bicyclic sesquiterpenes and their oxygenated derivatives. A substantial quantitative and qualitative chemical differentiation of S. subspicata oil of Moldovan origin and reported oil of Croatian origin were found. The essential oil of S. subspicata L. plants cultivated in Republic of Moldova belongs to the carvacrol chemotype.


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