QUANTUM CHEMICAL STUDY OF TIN–SUBSTITUENT BONDS IN TRICOORDINATED TIN COMPOUNDS

A quantum chemical study of tin–substituent bonds in tricoordinated tin compounds is conducted using the PC GAMESS-Firefly package. The structures of the studied molecules are optimized by the DFT method (B3PW91 functional; aug-cc-pVTZ-pp effective core potential basis set for tin; 6-311++(2 d , p )...

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Veröffentlicht in:	Journal of structural chemistry 2022, Vol.63 (4), p.510-523
1. Verfasser:	Alekseev, N. V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic Atomic properties Atomic/Molecular Structure and Spectra Chemical bonds Chemical compounds Chemistry Chemistry and Materials Science Fireflies Inorganic Chemistry Mathematical analysis Molecular Optical and Plasma Physics Physical Chemistry Quantum chemistry Solid State Physics Tin Tin compounds Wave functions
Online-Zugang:	Volltext
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