Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene | Zendy

Henning Arp | Zendy; Judith Baumgartner | Zendy; Christoph Marschner | Zendy; P. Zark | Zendy; Thomas Müller | Zendy

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Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene

Author(s) -

Henning Arp,

Judith Baumgartner,

Christoph Marschner,

P. Zark,

Thomas Müller

Publication year - 2012

Publication title -

journal of the american chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 7.115

H-Index - 612

eISSN - 1520-5126

pISSN - 0002-7863

DOI - 10.1021/ja300654t

Subject(s) - chemistry , polarizability , phosphine , dimer , adduct , van der waals force , computational chemistry , density functional theory , trimethylsilyl , base (topology) , acceptor , stereochemistry , molecule , crystallography , catalysis , medicinal chemistry , organic chemistry , quantum mechanics , physics , mathematical analysis , mathematics

By reaction of 1,4-dipotassio-1,1,4,4-tetrakis(trimethylsilyl)tetramethyltetrasilane with PbBr(2) in the presence of triethylphosphine a base adduct of a cyclic disilylated plumbylene could be obtained. Phosphine abstraction with B(C(6)F(5))(3) led to formation of a base-free plumbylene dimer, which features an unexpected single donor-acceptor PbPb bond. The results of density functional computations at the M06-2X and B3LYP level of theory indicate that the dominating interactions which hold the plumbylene subunits together and which define its actual molecular structure are attracting van der Waals forces between the two large and polarizable plumbylene subunits.

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