An insight into Csp–H⋯π hydrogen bonds and stability of complexes formed by acetylene and its substituted derivatives with benzene and borazine-Reference-Cited by-同舟云学术

An insight into Csp–H⋯π hydrogen bonds and stability of complexes formed by acetylene and its substituted derivatives with benzene and borazine

Published:2016 Issue:108 Volume:6 Page:106662-106670
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Khanh Pham Ngoc¹²³⁴,Ngan Vu Thi¹²³⁴,Hong Man Nguyen Thi¹²³⁴,Ai Nhung Nguyen Thi²⁵⁶⁴,Chandra Asit K.²⁷⁸⁹,Trung Nguyen Tien¹²³⁴

Affiliation:

1. Laboratory of Computational Chemistry and Modelling

2. Department of Chemistry

3. Quy Nhon University

4. Vietnam

5. Hue University of Sciences – Hue University

6. Hue City

7. North-Eastern Hill University

8. Shillong

9. India

Abstract

Theoretical calculations at the MP2/aug-cc-pVDZ level are used to investigate the C_sp–H⋯π interactions of C₂HX (X = H, F, Cl, Br, CH₃, NH₂) with C₆H₆ and B₃N₃H₆ molecules.

Funder

National Foundation for Science and Technology Development

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA21557B

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