News

New Publication from Klapstein Group - Published in Journal of Physical Chemistry A

Tue, 15 May 2012 05:54:59

Cyanoformyl chloride and cyanoformyl bromide, XC(O)CN (X = Cl and Br), have been investigated in the gas phase by UV photoelectron and mid-infrared spectroscopies. The ground-state geometries of the neutral molecules have been obtained from quantum-chemical calculations at the B3LYP and CCSD(T) levels using the aug-cc-pVTZ basis set. The individual spectroscopies provide a detailed investigation into the vibrational and electronic character of the molecules and are supported by quantum-chemical calculations. The results are compared to data for structurally and chemically related molecules.

J. Phys. Chem. A, 2012, 116 (13), pp 3396–3403

DOI: 10.1021/jp301528q

No Chemistry Seminar Friday Dec. 2, 2011

Fri, 02 Dec 2011 06:05:38

No Chemistry Seminar Friday Dec. 2, 2011- End of 2011 seminar schedule

New Publication from Aquino Lab - Published in Inorganic Chemistry

Mon, 07 Nov 2011 05:57:30

New Publication from Aquino Lab - Published in Inorganic Chemistry

[Ru2(μ-O2CCH3)4(MeOH)2](PF6) reacts with chiral diphosphines (R,R)- and (S,S)-chiraphos, leading to disassembly and production of the enantiomers Λ-[Ru(η2-O2CCH3)(η2-(R,R)-chiraphos)2](PF6) and Δ-[Ru(η2-O2CCH3)(η2-(S,S)-chiraphos)2](PF6) in high yield and purity. X-ray crystallography and solid-state circular dichroism (CD) show that only the indicated isomers are present in the solid state. Solution CD measurements also indicate their predominance in solution.

pubs.acs.org/doi/full/10.1021/ic202013m

New Publication from Aquino Lab Published in Acta Crystallographica

Wed, 26 Oct 2011 05:53:17

Abstract: The title compound, [Ru2(CH3CO2)4(C6H4N2)2]PF6·C2H4Cl2, was obtained via a rapid substitution reaction in 2-propanol whereby 3-cyanopyridine replaces the axial water molecules in the diaquatetra--acetato-diruthenium(II,III) hexafluoridophosphate starting material. The product rapidly precipated and crystals were grown from 1,2-dichloroethane. The 1,2-dichloroethane molecule of solvation exhibits disorder with two different orientations [occupancy ratio 0.51 (6):0.49 (6)]. All three parts, the cation, the anion and the disordered solvent molecule lie on crystallographic inversion centers. The Ru-Ru bond length of 2.2702 (6) Å fits nicely into the range seen for similar complexes and correlates well with the reduction potential of the complex and donor strength of the axial ligand, 3-cyanopyridine, as postulated in a previous study [Vamvounis et al. (2000). Inorg. Chim. Acta, 305, 87-98]. The 3-cyanopyridine ligands orient themselves in an anti configuration with respect to each other and the Ru-Ru-N angle [174.27 (7)°] is close to being linear.

2011 Nobel Prize in Chemistry

Wed, 05 Oct 2011 12:02:15

The 2011 Nobel Prize in Chemistry is awarded to Dan Shechtman "for the discovery of quasicrystals".

www.nobelprize.org/

www.nobelprize.org/nobel_prizes/chemistry/laureates/

www.cbc.ca/news/technology/story/2011/10/05/nobel-prize-chemistry.html

No Chemistry Seminar Friday Oct 7, 2011

Wed, 05 Oct 2011 11:52:34

No scheduled Chemistry Seminar for Friday Oct 7, 2011. Note there are Chemistry Honours seminars on Tuesday Oct 11, Wednesday Oct 12 and Friday Oct 14.