Literature DB >> 26281745

Seven Conformers of Neutral Dopamine Revealed in the Gas Phase.

Carlos Cabezas1, Isabel Peña1, Juan C López1, José L Alonso1.   

Abstract

The rotational spectrum of neutral dopamine has been investigated for the first time using a combination of Fourier transform microwave spectroscopy with laser ablation. The parameters extracted from the analysis of the spectrum unequivocally identify the existence of seven conformers of dopamine. (14)N nuclear quadrupole coupling interactions have been used to determine the orientation of the amino group probing the existence of stabilizing N-H···π interactions for all observed conformers.

Entities:  

Keywords:  catecholamines; conformational analysis; laser ablation; microwave spectroscopy; nuclear quadrupole coupling interactions

Year:  2013        PMID： 26281745     DOI： 10.1021/jz302135h

Source DB:  PubMed          Journal:  J Phys Chem Lett        ISSN： 1948-7185            Impact factor:   6.475


  6 in total

Review 1.  Competing intramolecular vs. intermolecular hydrogen bonds in solution.

Authors:  Peter I Nagy
Journal:  Int J Mol Sci       Date:  2014-10-28       Impact factor: 5.923

2.  Elucidating the multiple structures of pipecolic acid by rotational spectroscopy.

Authors:  A Simão; C Cabezas; I León; E R Alonso; S Mata; J L Alonso
Journal:  Phys Chem Chem Phys       Date:  2019-02-20       Impact factor: 3.676

3.  CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study.

Authors:  Vincenzo Barone; Malgorzata Biczysko; Julien Bloino; Paola Cimino; Emanuele Penocchio; Cristina Puzzarini
Journal:  J Chem Theory Comput       Date:  2015-08-07       Impact factor: 6.006

4.  Accurate molecular structure and spectroscopic properties of nucleobases: a combined computational-microwave investigation of 2-thiouracil as a case study.

Authors:  Cristina Puzzarini; Malgorzata Biczysko; Vincenzo Barone; Isabel Peña; Carlos Cabezas; José L Alonso
Journal:  Phys Chem Chem Phys       Date:  2013-09-04       Impact factor: 3.676

5.  Dopamine Adsorption on Rutile TiO2(110): Geometry, Thermodynamics, and Core-Level Shifts from First Principles.

Authors:  Noemi Cadmen; Joana Bustamante; Richard Rivera; F Javier Torres; Jorge Ontaneda
Journal:  ACS Omega       Date:  2022-01-28

6.  Shape-Shifting Molecules: Unveiling the Valence Tautomerism Phenomena in Bare Barbaralones.

Authors:  Miguel Sanz-Novo; Mauro Mato; Íker León; Antonio M Echavarren; José L Alonso
Journal:  Angew Chem Int Ed Engl       Date:  2022-03-24       Impact factor: 16.823
  6 in total

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