Dalton Transactions Blog

Octahedral, trigonal prismatic, and capped square pyramidal structures have been optimized for the Ru₆C(CO)_n clusters (15 ≤ n ≤ 20) using density functional theory, by a team from Dalian, China and Georgia, USA. They have shown that the very stable Ru₆C(CO)₁₇ is predicted to have an octahedral structure in accord with experiment as well as the Wade–Mingos rules. In addition, the maximum number of external CO groups around an Ru₆ octahedron in a stable compound appears to be 17.  To find out more read the full text of this ‘Hot Article’ here.

The maximum number of carbonyl groups around an Ru₆C polyhedral cluster: hexanuclear ruthenium carbonyl carbides
Chunjiao Li, Jingchen Xu, Jijun Zhao, Dongxu Tian and R. Bruce King
Dalton Trans., 2010, Advance Article
DOI: 10.1039/C0DT00670J, Paper

READ FOR FREE! Until November 17^th.

In this Dalton Transactions ‘Hot Article’ Jason  Lynam, John Slattery and colleagues from the University of York provide insight, through experimental and theoretical investigation, to the intramolecular acetate-mediated formation of ruthenium vinylidene complexes.  They show that acetate is able to lower the energy of hydrogen migration in the formation of vinylidene complexes from their alkyne tautomers. This is an example of a Ligand-Assisted Proton Shuttle (LAPS) mechanism.  Read more in this Hot Article.

Insights into the intramolecular acetate-mediated formation of ruthenium vinylidene complexes: a ligand-assisted proton shuttle (LAPS) mechanism 
David G. Johnson, Jason M. Lynam, John M. Slattery and Christine E. Welby
Dalton Trans., 2010, Advance Article
DOI: 10.1039/C0DT00431F, Paper

READ FOR FREE! Until November 15th.

Pt(IV) complexes are accepted as a class of potential anticancer compounds with better oral activity than their Pt(II) analogues.  Adoración G. Quiroga and colleagues have synthesised two novel Pt(IV) complexes based on Pt(II) analogues previously shown by them to have potential as anticancer compounds. The team from Spain, Australia and Germany describe in this paper the synthesis, characterization, and unusually high cytotoxicity against three human cancer cell lines of these novel Pt(IV) complexes.

The preparation and characterization of trans-platinum(IV) complexes with unusually high cytotoxicity
Leticia Cubo, Trevor W. Hambley, Pablo J. Sanz Miguel, Amancio Carnero, Carmen Navarro-Ranninger and Adoración G. Quiroga
Dalton Trans., 2011, Advance Article
DOI: 10.1039/C0DT00565G, Paper

 READ FOR FREE! Until the 12^th November.

In this paper Maravanji S. Balakrishna and colleagues from India and the USA report the first examples of cyclodiphosphazane-derived phosphine ligands and their transition metal chemistry. The chemistry of cyclodiphosphazanes has received considerable interest recently due to their utility as ligands towards both main group and transition elements, building blocks in macrocyclic chemistry, mechanistic probes for organic reactions, and catalytic and biological applications.  Find out more in this Dalton Transactions ‘Hot Article’.

Transition metal chemistry of cyclodiphosphanes containing phosphine and amide-phosphine functionalities: Formation of a stable dipalladium(II) complex containing a Pd–P σ-bond.
Maravanji S. Balakrishna, Ramalingam Venkateswaran and Joel T. Mague
Dalton Trans., 2010, Advance Article
DOI: 10.1039/C0DT00614A, Paper

READ FOR FREE! Until the 11^th November.

Computational studies have made an important contribution to understanding the mechanisms of C-H bond activation by transition metal systems.  In this Hot Article David Davies and Stuart A. Macgregor from the University of Leicester and Amalia Poblador-Bahamonde from Heriot-Watt University have used density functional theory calculations to define the energetics of ethene hydroarylation with a [Ir(κ²-OAc)(PMe₃)Cp]⁺ catalyst and to assess possible competing side reactions.

Computational study of ethene hydroarylation at [Ir(κ^2-OAc)(PMe₃)Cp]⁺
David L. Davies, Stuart A. Macgregor and Amalia I. Poblador-Bahamonde
Dalton Trans., 2010, Advance Article
DOI: 10.1039/C0DT00409J, Paper 

READ FOR FREE! Until the 9th November.