Experiment and theory at the convergence limit: accurate equilibrium structure of picolinic acid by gas-phase electron diffraction and coupled-cluster computations

Author:

Vogt Natalja12345ORCID,Marochkin Ilya I.12345ORCID,Rykov Anatolii N.5678ORCID

Affiliation:

1. Section of Chemical Information Systems

2. University of Ulm

3. 89069 Ulm

4. Germany

5. Department of Chemistry

6. Lomonosov Moscow State University

7. 119991 Moscow

8. Russia

Abstract

High accuracy of structure determination allows observation of fine structural effects, for example, due to formation of the intramolecular hydrogen bond.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference51 articles.

1. Macrophage Activating Properties of The Tryptophan Catabolite Picolinic Acid

2. Römpp Online , ed. U. Bornscheuer , W. Streit , B. Dill , F. Böckler , A. Kirschning , G. Eisenbrand , R. Matissek , B. Fugmann , G. Pohnert , F. Faupel , U. Dingerdissen and T. Gamse , Georg-Thieme-Verlag , Stuttgart , 2018

3. Local Anesthetics I. N-Alkyl Pyrrolidine and N-Alkyl Piperidine Carboxylic Acid Amides.

4. Picolinic and Isonicotinic Acids: A Fourier Transform Microwave Spectroscopy Study

5. THE CRYSTAL STRUCTURE OF PICOLINIC ACID

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