Substituent Effect on the Electronic Properties and Nature of the W≡C Bond in trans‐Cl(OC)(H3P)3W(≡C‐para‐C6H4X) (X = H, F, SiH3, CN, NO2, SiMe3, CMe3, NH2, NMe2) Complexes: A Computational Quantum Chemistry Study
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DOI: 10.1002/jccs.201700172
Abstract: In this investigation, we describe substituent effect on the dipole moment, ionization potential, electron affinity, structure, frontier orbitals energy, in the trans-Cl(OC)(H3P)3W(≡C-para-C6H4X) (X = H, F, SiH3, CN, NO2, SiMe3, CMe3, NH2, NMe2) complexes using MPW1PW91 quantum… read more here.
Keywords: substituent effect; h3p para; para c6h4x; chemistry ... See more keywords