Ubbelohde Effect within Weak C–H···π Hydrogen Bonds: The Rotational Spectrum of Benzene–DCF3

2013 ◽  
Vol 117 (50) ◽  
pp. 13531-13534 ◽  
Author(s):  
Qian Gou ◽  
Gang Feng ◽  
Luca Evangelisti ◽  
Donatella Loru ◽  
José L. Alonso ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Rotational Spectrum ◽  
Ubbelohde Effect

Interactions between azines and alcohols: a rotational study of pyridine–tert-butyl alcohol

2019 ◽  
Vol 21 (7) ◽  
pp. 3545-3549 ◽  
Author(s):  
Lorenzo Spada ◽  
Iciar Uriarte ◽  
Weixing Li ◽  
Luca Evangelisti ◽  
Emilio J. Cocinero ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Butyl Alcohol ◽  
Hydroxyl Group ◽  
Intermolecular Hydrogen Bonds ◽  
Tert Butyl ◽  
Type Complex ◽  
Tert Butyl Alcohol ◽  
Ubbelohde Effect

The observed spectrum identifies aCssymmetry σ-type complex, with the two subunits held together by coplanar “classical” O–H⋯N and weak C–H⋯π intermolecular hydrogen bonds. The O⋯N distance decreases by 4 mÅ upon deuteration of the hydroxyl group (reverse Ubbelohde effect).

Chloromethane-Water Adduct: Rotational Spectrum, Weak Hydrogen Bonds, and Internal Dynamics

2015 ◽  
Vol 10 (5) ◽  
pp. 1198-1203 ◽  
Author(s):  
Qian Gou ◽  
Lorenzo Spada ◽  
Juan Carlos Lòpez ◽  
Jens-Uwe Grabow ◽  
Walther Caminati
Keyword(s):  
Hydrogen Bonds ◽  
Rotational Spectrum ◽  
Internal Dynamics ◽  
Weak Hydrogen Bonds

scholarly journals From Molecular to Cluster Properties: Rotational Spectroscopy of 2-Aminopyridine and of Its Biomimetic Cluster with Water

Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6870
Author(s):  
Adam Kraśnicki ◽  
Zbigniew Kisiel ◽  
Jean-Claude Guillemin
Keyword(s):  
Hydrogen Bonds ◽  
Room Temperature ◽  
Rotational Spectroscopy ◽  
Rotational Spectrum ◽  
Base Pairs ◽  
Supersonic Expansion ◽  
Ring Molecules ◽  
Isotopic Species ◽  
Single Ring ◽  
Cluster Properties

We report the observation and analysis of the rotational spectrum of a 1:1 cluster between 2-aminopyridine and water (AMW) carried out with supersonic expansion Fourier transform microwave spectroscopy at 4.7–16.5 GHz. Measurements of the 2-aminopyridine monomer (AMP) were also extended up to 333 GHz for the room-temperature rotational spectrum and to resolve hyperfine splitting resulting from the presence of two 14N quadrupolar nuclei. Supersonic expansion measurements for both AMP and AMW were also carried out for two synthesized isotopic species with single deuteration on the phenyl ring. Nuclear quadrupole hyperfine structure has also been resolved for AMW and the derived splitting constants were used as an aid in structural analysis. The structure of the AMW cluster was determined from the three sets of available rotational constants and the hydrogen bonding configuration is compared with those for clusters with water of similarly sized single-ring molecules. Experimental results aided by quantum chemistry computations allow the conclusion that the water molecule is unusually strongly bound by two hydrogen bonds, OH...N and O...HN, to the NCNH atomic chain of AMP with the potential to replace hydrogen bonds to the identical structural segment in cytosine and adenine in CT and AT nucleic acid base pairs.

Sign in / Sign up

Export Citation Format

Share Document