Journal ArticleDOI
Preparation, Structural Analysis, and Reactivity Studies of Phosphenium Dications
Madelyn Qin Yi Tay,Gordana Ilić,Ulrike Werner-Zwanziger,Yunpeng Lu,Rakesh Ganguly,Louis Ricard,Gilles Frison,Duncan Carmichael,Dragoslav Vidovic +8 more
TLDR
In this paper, the synthesis and reactivity of the two-coordinate P(III)-containing dication [((Ph3P)2C)P(NiPr2)]2+ (3a2+) have been investigated.About:
This article is published in Organometallics.The article was published on 2016-02-22. It has received 20 citations till now. The article focuses on the topics: Dication.read more
Citations
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Journal ArticleDOI
Geminal Dianions Stabilized by Main Group Elements
TL;DR: In this review, the syntheses and electronic structures of the geminal dianions are presented, followed by the studies dedicated to their reactivity toward organic substrates and finally to their coordination chemistry and applications.
Journal ArticleDOI
Bis(carbodicarbene)phosphenium trication: the case against hypervalency
TL;DR: The first example of a phosphenium trication has been prepared by using the exceptional nucleophilic properties of a carbodicarbene ligand and it is shown that phosphoranides, in general, do not contain a hypervalent P centre.
Journal ArticleDOI
E-H (E = B, Si, C) Bond Activation by Tuning Structural and Electronic Properties of Phosphenium Cations.
TL;DR: The effects of P-centered substituent exchange and increase in the overall positive charge on small substrate activation were comparatively determined by incorporating the bis(amino)phosphenium ion [(iPr2N)2P]+ ([1]+) in this study.
Journal ArticleDOI
Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.
Sivathmeehan Yogendra,Felix Hennersdorf,Antonio Bauzá,Antonio Frontera,Roland Fischer,Jan J. Weigand +5 more
TL;DR: A carbodiphosphorane ((Ph3P)2C) mediated synthesis of the first triflyloxyphosphonium dication (12+) bearing two electrophilic sites is presented in this paper.
Book ChapterDOI
Synthesis, Structure, and Reactivity of Carbodiphosphoranes, Carbodicarbenes, and Related Species
TL;DR: In this paper, a review of theoretical and experimental research on carbodiphosphoranes C(PR3)2 and related compounds of formula C(L)2 as both, free molecules and ligands in transition metal or main group coordination complexes is presented.
References
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Journal ArticleDOI
Density‐functional thermochemistry. III. The role of exact exchange
TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.
Book ChapterDOI
Processing of X-ray diffraction data collected in oscillation mode
Zbyszek Otwinowski,Wladek Minor +1 more
TL;DR: The methods presented in the chapter have been applied to solve a large variety of problems, from inorganic molecules with 5 A unit cell to rotavirus of 700 A diameters crystallized in 700 × 1000 × 1400 A cell.
Journal ArticleDOI
Accurate and simple analytic representation of the electron-gas correlation energy
John P. Perdew,Yue Wang +1 more
TL;DR: A simple analytic representation of the correlation energy for a uniform electron gas, as a function of density parameter and relative spin polarization \ensuremath{\zeta}, which confirms the practical accuracy of the VWN and PZ representations and eliminates some minor problems.
Book
Inorganic Chemistry: Principles of Structure and Reactivity
TL;DR: In this article, inorganic chemistry principles of structure and reactivity are presented. But, they do not cover how to use these principles in the design of products, and they are not available in any type of product.
Journal ArticleDOI
NBO 6.0: natural bond orbital analysis program.
TL;DR: The NBO 6.0 as mentioned in this paper is a new version of the NBO that provides novel "link-free" interactivity with host electronic structure systems, improved search algorithms and labeling conventions, and new analysis options that significantly extend the range of chemical applications.