Carbon rings: a DFT study on geometry, aromaticity, intermolecular carbon–carbon interactions and stability-Reference-Cited by-同舟云学术

Carbon rings: a DFT study on geometry, aromaticity, intermolecular carbon–carbon interactions and stability

Published:2016 Issue:50 Volume:6 Page:44261-44271
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Remya Karunakaran¹²³⁴,Suresh Cherumuttathu H.¹²³⁴

Affiliation:

1. Chemical Sciences and Technology Division

2. CSIR-National Institute for Interdisciplinary Science and Technology

3. Trivandrum

4. India

Abstract

Strong complimentary electrostatic interactions lead to large number of C⋯C interactions in doubly antiaromatic C_4N dimers while the delocalized system of π electrons in doubly aromatic C_4N+2 dimers suggest very few intermolecular C⋯C interactions.

Funder

Council of Scientific and Industrial Research

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA06833B

Reference58 articles.

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4. Structures and vibrational frequencies of the carbon molecules C2-C18 calculated by density functional theory

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