The rotational barrier of ethane and some of its hexasubstituted derivatives in terms of the forces acting on the electron distribution-Reference-Cited by-同舟云学术

The rotational barrier of ethane and some of its hexasubstituted derivatives in terms of the forces acting on the electron distribution

Published:2015 Issue:29 Volume:17 Page:19021-19029
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Cortés-Guzmán Fernando¹²³⁴⁵,Cuevas Gabriel¹²³⁴⁵,Martín Pendás Ángel⁶⁷⁸⁹¹⁰,Hernández-Trujillo Jesús⁷²³⁴⁵

Affiliation:

1. Instituto de Química

2. Universidad Nacional Autónoma de México

3. Circuito Escolar

4. Cd. Universitaria

5. Mexico, D.F

6. Departamento de Química Física y Analítica

7. Facultad de Química

8. Universidad de Oviedo

9. E-33006-Oviedo

10. Spain

Abstract

The rotational barrier of ethane and some of its hexasubstituted derivatives is mainly a consequence of the decrease of the attractive forces acting on the electron density of the central C atoms.

Funder

Consejo Nacional de Ciencia y Tecnología

Dirección General Asuntos del Personal Académico, Universidad Nacional Autónoma de México

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP02774H

Reference57 articles.

1. Hindered Rotation of the Methyl Groups in Ethane

2. The Entropy of Ethane and the Third Law of Thermodynamics. Hindered Rotation of Methyl Groups

3. The barrier to internal rotation in ethane

4. Toward Understanding the Nature of Internal Rotation Barriers with a New Energy Partition Scheme: Ethane and n-Butane

5. Dissecting the Hindered Rotation of Ethane

Cited by 17 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The Ehrenfest force field: A perspective based on electron density functions;The Journal of Chemical Physics;2023-12-18

2. Revealing the Role of Noncovalent Interactions on the Conformation of the Methyl Group in Tricyclic Orthoamide;The Journal of Organic Chemistry;2023-12-15

3. Conformational preference analysis in C₂H₆ using orbital forces and non-covalent interactions; comparison with related systems;Physical Chemistry Chemical Physics;2023

4. Physical achirality in geometrically chiral rotamers of hydrazine and boranylborane molecules;Journal of Computational Chemistry;2021-07-07

5. Revisiting the conformational analysis of unsaturated organic compounds using the bent bond / antiperiplanar hypothesis;Tetrahedron;2021-07