Response to Comment on “Synthesis and characterization of the pentazolate anion cyclo -N 5 – in (N 5 ) 6 (H 3 O) 3 (NH 4 ) 4 Cl”-Reference-Cited by-同舟云学术

Response to Comment on “Synthesis and characterization of the pentazolate anion cyclo -N 5 – in (N 5 ) 6 (H 3 O) 3 (NH 4 ) 4 Cl”

Published:2018-03-16 Issue:6381 Volume:359 Page:
ISSN:0036-8075
Container-title:Science
language:en
Short-container-title:Science

Author:

Jiang Chao¹^ORCID,Zhang Lei²³^ORCID,Sun Chengguo¹⁴^ORCID,Zhang Chong¹^ORCID,Yang Chen¹,Chen Jun²³^ORCID,Hu Bingcheng¹^ORCID

Affiliation:

1. School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, Jiangsu, China.

2. Software Center for High Performance Numerical Simulation, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China.

3. Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China.

4. School of Chemical Engineering, University of Science and Technology Liaoning, Anshan 114051, Liaoning, China.

Abstract

Huang and Xu argue that the cyclo -N 5 – ion in (N 5 ) 6 (H 3 O) 3 (NH 4 ) 4 Cl we described in our report is theoretically unfavorable and is instead protonated. Their conclusion is invalid, as they use an improper method to assess the proton transfer in a solid crystal structure. We present an in-depth experimental and theoretical analysis of (N 5 ) 6 (H 3 O) 3 (NH 4 ) 4 Cl that supports the results in the original paper.

Funder

the National Natural Science Foundation of China

the Fundamental Research Funds for the Central Universities

the Priority Academic Program Development of Jiangsu Higher Education Institutions

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

Reference11 articles.

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2. Synthesis and characterization of the pentazolate anion cyclo -N 5 ˉ in (N 5 ) 6 (H 3 O) 3 (NH 4 ) 4 Cl

3. P. Müller R. Herbst-Irmer A. L. Spek T. R. Schneider M. R. Sawaya Crystal Structure Refinement: A Crystallographer’s Guide to SHELXL (Oxford Univ. Press 2006).