Category Archives: New Results!

Ribofuranose published

An article on ribofuranose appeared in Chemical Communications last April 1. In this work we explored the conformational properties of the biologically-active five-membered ring form of ribose using its rotational signature in a jet expansion. Previous studies in the gas phase and crystal structures had shown that the isolated molecule adopts a six-membered pyranose form, strikingly different to the biological use of ribose, as in RNA. Our spectroscopic information made possible a direct comparison of the observed gas phase preferences with the crystal structures.

Figure ribofuranosa

In the figure above the two observed structures of methyl-beta-ribofuranoside and a diagram showing the puckering properties of the molecule (intramolecular hydrogen bond parameters in angstrom).

 


New PCCP cover

New cover on PCCP! A work in collaboration with the Brooks H. Pate group in Virginia was featured as cover of PCCP in the July 28th issue. We show how transient chirality in the anesthetic sevoflurane is stabilized on formation of the dimer, as two different diastereoisomers (homochiral: left/left or right/right; heterochiral: left/right or right/left) are formed and distinguished by their spectral rotational signature. The structure of the dimers were fully resolved usign isotopic information, rendering information on the weak hydrogen bonds stabilizing the cluster.

PCCP cover sevo2sevo2


PCCP cover

A work on the intermolecular cluster pyridine-methane聽in collaboration with the group of聽 Walther Caminati has been chosen as cover of PCCP. Methane behaves in the complex as a noble gas, binding on top of the aromatic ring. This T-shape structure contrasts with the in-plane structure of other pyridine clusters involving聽halomethanes.

portada_PCCP_pyr-CH4


ISMS meeting

The International Symposium on Molecular Spectroscopy聽(ISMS), a landmark for the聽high-resolution Spectroscopy community, will move to Champaign-Urbana this year (June, 16-20). The meeting follows 68 succesful editions聽at the Ohio State University (Columbus, OH). Our group collaborates in five communications.

TOC caprolactone version 2

We show in the figure above two conformations observed for the floppy seven-membered ring of caprolactone.


Sevoflurane路路路benzene

A work in collaboration with the Pate group in Virginia examined the weakly-bound cluster of sevoflurane路路路benzene ans was published in Angewandte Chemie. The primary interaction is a relatively strong C-H路路路pi hydrogen bond. The presence of additional C-H路路路F weak interactions hinders the six-fold symmetric internal rotation of benzene around sevoflurane. This is probably the first time that such a V6 barrier has been determined in a intermolecular complex.

sevo-benzene

 


propofol hexamer

Category : New Results!

A large cluster or a reverse micelle: A work on the propofol hexamer led by Jos茅 Andr茅s Fern谩ndez gets a cover in Angewandte Chemie.

聽 聽 聽 聽 聽 聽 聽 聽ppf6


Phenol dimer and trimer

Category : New Results!

Rotational spectroscopy expands to larger molecules and clusters. A work in collaboration with the Pate group in Virginia reveals the structure of the phenol dimer and trimer, pinpointing the position of each atom of the cluster.聽The phenol trimer is a barrel-like symmetric top.

phenol2


Scopine published

Category : New Results!

If you heat scopine you get scopoline, a distorted tropane. See ChemPhysChem for the structure.

Scopine_TOC_v0

 


Phenazone published in JCP

Category : New Results!

Phenazone published: Complicated hyperfine + internal rotation problem

phenazone


Fructose published

Category : New Results!

A rotational work on fructose has been accepted by JACS and published in the web. JACS_fructose