Network of excellence on NMR

The MSOC by means of Dr. Mª Victoria Gómez Almagro participates in the network of excellence project “Thematic network on NMR spectroscopy”. This is a project with the participation of 10 laboratories in Spain and with a multidiscilplinar and international approach.   Advertisements

Review on the use of NMR spectroscopy in flow chemistry

This review show the recent advances in the use of flow chemistry with in-line and on-line analysis by NMR. It cover from the use macro- and, microreactors, standard and custom made NMR probes involving microcoils, high resolution and benchtop NMR instruments and the use of DOE and automatic reaction monitoring and automatization. Selected applications have been collected … Continue reading

Book chapter on flow Chemistry

A new book chapter on the use of non-conventional techniques in sustainable chematry under flow conditions has been published by our group. The chapter it is included in the book Sustainable Flow Chemistry – Chapter 9. Methods and Applications.  Edited by L. Vaccaro and published by Wiley-VCH.

New review on computational calculations and microwave irradiation

This review, published in Chem. Soc. Rev., provides an overview of the use of Computational Chemistry in MAOS to provide a theoretical understanding of the factors that can be used to explain the improvements in MAOS and how computational calculations can be used as a predictive tool.

New book chapter on Microwaves in Green Chemistry

Since the first publications on the use of microwave irradiation in synthetic chemistry, it was clear that this methodology would have a marked influence in all areas of this discipline. Reduction of reaction times, improved yields, modifications of selectivities, increased product purities and simplification of work-up procedures were described and, in most cases, these conditions … Continue reading

New paper on molecular recognition: triazine-carbon nanotubes with Flavin

Carbon nanotubes, both single-walled and multi-walled, have been functionalised with 1,3,5-triazines and p-tolyl chains by aryl radical addition under microwave irradiation and the derivatives have been fully characterised. Artificial receptors in catalytic processes could be designed through specific control of the interaction between functionalised carbon nanotubes and riboflavin.

Self-assembly of T-shape 2H-benzo[d][1,2,3]-triazoles. Optical wadeguide and photophysical properties†

T-shaped 2H-benzo[d][1,2,3]triazole derivatives have been synthesized by Sonogashira coupling reactions under microwave irradiation. DFT calculations were performed in order to understand the structure-property relationships – an aspect that is of vital importance for the rational design of organic self-assemblies for optoelectronic applications. Concentration-dependent 1H Pulse Field-Gradient Spin-Echo (PFGSE) NMR spectroscopy and UV/Vis spectrophotometry indicated the … Continue reading

Tunable Emission in Aggregated T-Shaped 2H-Benzo[d][1,2,3]triazoles with Waveguide Behaviour

Symmetrical Donor-Acceptor-Donor (D-A-D) 2H-benzo[d][1,2,3]triazole derivatives have been designed by DFT calculations and prepared by a multistep synthetic protocol. The design strategy involved the identification of a suitable acceptor benzotriazole core and modification of the volume and donor strength of the branches in order to modulate the Intramolecular Charge Transfer (ICT) process and, consequently, the band … Continue reading

Preparation and properties of Triazine based Streptocyanines

A new series of bistriazine-based streptocyanines has been selectively prepared. 1D- and 2D-DNMR spectroscopy and computational calculations have shown the presence of a Cl … H bond. UV–vis and fluorescence spectroscopy show that streptocyanine-based bistriazines are violet-blue emitters and large Stokes shifts of more than 6000 cm−1 were observed. The title compounds showed interesting properties which … Continue reading

SMALL-VOLUME NMR spectroscopy

NMR analysis of mass-limited samples remains a major challenge, which has triggered the development of expensive superconducting ultra-high field magnets, as well as of more expensive and technologically demanding solutions as cryoprobes and hyperpolarization schemes. Mass-limited samples could also benefit from the use of miniaturized coils, since the amplitude of the NMR signal is optimal … Continue reading