tetraphenyltin

tetraphenyltin

[‚te·trə′fen·əl·tən]
(organic chemistry)
(C6H5)4Sn A white powder with a melting point of 225-228°C; soluble in hot benzene, toluene, and xylene; used for mothproofing.
References in periodicals archive ?
The findings from this investigations show that any of the hybrid functional methods can be used to study the rotation of muonium-attached phenyl ring in tetraphenyltin without significantly affecting the main features of the rotational barrier.
Keywords: Density Functional Theory, Hybrid Functional, Tetraphenyltin, Rotational barrier
The crystal structure of tetraphenyltin has been determined X-ray crystallography techniques [3-7].
The main purpose of this present study was to perform a DFT investigation on the energy, molecular geometries and internal rotational barriers of tetraphenyltin for various hybrid functionals.
The crystal structure of tetraphenyltin has the space group P-421c[11], with a=12.
In this study, we calculated the energy barrier due to the rotation of a phenyl ring about the Sn-C bond in tetraphenyltin from 0o to 360o in 30o increments.
The plots of the global energy minima of tetraphenyltin using the four basis sets (SV, SVP, 3-21G* and DGDZVP) together with each of the 31 functionals/hybrid functionals available in the Gaussian09 software is illustrated in Figure
Global energy minimum of tetraphenyltin calculated using four basis sets with various hybrid functionals