Polarity, Polarizability and Molecular Structure of Autocomplexes on the Basic of 1,4-Naphthoquinone

• Autorzy: Prezhdo V.
• Języki publikacji: EN

Abstrakty

EN

Experimental and theoretical investigation of molecular dipole moments and molar Kerr constants of 1,4-naphthoquinone based autocomplexes has been carried out. The results indicate the presence of intramolecular charge transfer of the n-_* type. A correlation of the experimental values of molar Kerr constants with the _0-constants of substituents to the arylamine fragment of the autocomplexes has been established. Substituents to the electron donor fragment of the autocomplexes systematically affect the angle between the donor and acceptor fragments. Ab initio quantum-chemical calculations support the n-_*-charge transfer structure and show notable changes in the charge on the nitrogen atom of the donor fragment due to complex formation.

Słowa kluczowe

EN

dipole moment; Kerr constant; autocomplexes; 1,4-naphthoquinone; intramolecular charge transfer; ab initio calculations

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2001
• Tom: Vol. 75, nr 10
• Strony: 1521--1531

Twórcy

autor

Prezhdo V.

• Department of Organic Chemistry, Polytechnic Institute, Kharkov, Ukraine