Response to Comment on "Synthesis and characterization of the pentazolate anion cyclo-N5- in (N5)6(H3O)3(NH4)4Cl"

Chao Jiang; Lei Zhang; Chengguo Sun; Chong Zhang; Chen Yang; Jun Chen; Bingcheng Hu

doi:10.1126/science.aas8953

Response to Comment on "Synthesis and characterization of the pentazolate anion cyclo-N₅^- in (N₅)₆(H₃O)₃(NH₄)₄Cl"

Science. 2018 Mar 16;359(6381):aas8953. doi: 10.1126/science.aas8953.

Authors

Chao Jiang¹, Lei Zhang^{2

3}, Chengguo Sun^{1

4}, Chong Zhang¹, Chen Yang¹, Jun Chen^{5

3}, Bingcheng Hu⁶

Affiliations

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.
⁵ Software Center for High Performance Numerical Simulation, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China. hubc@njust.edu.cn jun_chen@iapcm.ac.cn.
⁶ School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, Jiangsu, China. hubc@njust.edu.cn jun_chen@iapcm.ac.cn.

PMID: 29590050
DOI: 10.1126/science.aas8953

Abstract

Huang and Xu argue that the cyclo-N₅^- ion in (N₅)₆(H₃O)₃(NH₄)₄Cl 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 (N₅)₆(H₃O)₃(NH₄)₄Cl that supports the results in the original paper.

Publication types

Research Support, Non-U.S. Gov't
Comment

MeSH terms

Anions*
Protons*

Substances

Anions
Protons