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Title: DDT Polymorphism and the Lethality of Crystal Forms

Authors:
 [1]; ORCiD logo [2];  [2]; ORCiD logo [3]; ORCiD logo [2]; ORCiD logo [4]
  1. Department of Chemistry and Molecular Design Institute, New York University, 100 Washington Square East, Room 1001 New York City NY 10009 USA, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 P.R. China
  2. Department of Chemistry and Molecular Design Institute, New York University, 100 Washington Square East, Room 1001 New York City NY 10009 USA
  3. Department of Physics and Astronomy, High Pressure Science and Engineering Center, University of Nevada, Las Vegas NV 89154 USA
  4. Department of Chemistry and Molecular Design Institute, New York University, 100 Washington Square East, Room 1001 New York City NY 10009 USA, Department of Advanced Science and Engineering (TWins), Waseda University, 162-0056 Tokyo Japan
Publication Date:
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1374469
Grant/Contract Number:
NA0001982
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Angewandte Chemie (International Edition)
Additional Journal Information:
Journal Name: Angewandte Chemie (International Edition); Journal Volume: 56; Journal Issue: 34; Related Information: CHORUS Timestamp: 2017-10-20 18:10:50; Journal ID: ISSN 1433-7851
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Yang, Jingxiang, Hu, C. T., Zhu, Xiaolong, Zhu, Qiang, Ward, Michael D., and Kahr, Bart. DDT Polymorphism and the Lethality of Crystal Forms. Germany: N. p., 2017. Web. doi:10.1002/anie.201703028.
Yang, Jingxiang, Hu, C. T., Zhu, Xiaolong, Zhu, Qiang, Ward, Michael D., & Kahr, Bart. DDT Polymorphism and the Lethality of Crystal Forms. Germany. doi:10.1002/anie.201703028.
Yang, Jingxiang, Hu, C. T., Zhu, Xiaolong, Zhu, Qiang, Ward, Michael D., and Kahr, Bart. Tue . "DDT Polymorphism and the Lethality of Crystal Forms". Germany. doi:10.1002/anie.201703028.
@article{osti_1374469,
title = {DDT Polymorphism and the Lethality of Crystal Forms},
author = {Yang, Jingxiang and Hu, C. T. and Zhu, Xiaolong and Zhu, Qiang and Ward, Michael D. and Kahr, Bart},
abstractNote = {},
doi = {10.1002/anie.201703028},
journal = {Angewandte Chemie (International Edition)},
number = 34,
volume = 56,
place = {Germany},
year = {Tue Jun 13 00:00:00 EDT 2017},
month = {Tue Jun 13 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on June 13, 2018
Publisher's Accepted Manuscript

Citation Metrics:
Cited by: 1work
Citation information provided by
Web of Science

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  • Four new Li uranyl phosphates and arsenates have been prepared by high-temperature solid-state reactions: {alpha}-Li[(UO{sub 2})(PO{sub 4})] (1), {alpha}-Li[(UO{sub 2})(AsO{sub 4})] (2), {beta}-Li[(UO{sub 2})(AsO{sub 4})] (3) and Li{sub 2}[(UO{sub 2}){sub 3}(P{sub 2}O{sub 7}){sub 2}] (4). The structures of the compounds have been solved by direct methods: 1-triclinic, P1-bar, a=5.0271(1) A, b=9.8799(2) A, c=10.8920(2) A, {alpha}=108.282(9){sup o}, {beta}=102.993(8){sup o}, {gamma}=104.13(1){sup o}, V=470.69(2) A{sup 3}, Z=4, R{sub 1}=0.0415 for 2786 unique reflections with |F{sub 0}|{>=}4{sigma}{sub F}; 2-triclinic, P1-bar, a=5.129(2) A, b=10.105(3) A, c=11.080(3) A, {alpha}=107.70(2){sup o}, {beta}=102.53(3){sup o}, {gamma}=104.74(3){sup o}, V=501.4(3) A{sup 3}, Z=4, R{sub 1}=0.055 for 1431 unique reflections with |F{submore » 0}|{>=}4{sigma}{sub F}; 3-triclinic, P1-bar, a=5.051(1) A, b=5.303(1) A, c=10.101(1) A, {alpha}=90.31(1){sup o}, {beta}=97.49(1){sup o}, {gamma}=105.08(1){sup o}, V=258.80(8) A{sup 3}, Z=2, R{sub 1}=0.0339 for 2055 unique reflections with |F{sub 0}|{>=}4{sigma}{sub F}; 4-triclinic, P1-bar, a=5.312(1) A, b=6.696(1) A, c=12.542(1) A, {alpha}=94.532(9){sup o}, {beta}=99.059(8){sup o}, {gamma}=110.189(7){sup o}, V=409.17(10) A{sup 3}, Z=2, R{sub 1}=0.0565 for 1355 unique reflections with |F{sub 0}|{>=}4{sigma}{sub F}. The structures of all four compounds are based upon 3-D frameworks of U and T polyhedra (T=P, As). Phases 1 and 2 are isostructural and consist of U{sub 2}O{sub 12} dimers and UO{sub 6} square bipyramids linked by single TO{sub 4} tetrahedra. The structure of 3 consists of 3-D framework of corner-sharing UO{sub 6} bipyramids and AsO{sub 4} tetrahedra. In the structure of 4, the framework is composed of U{sub 2}O{sub 12} dimers, UO{sub 6} bipyramids and P{sub 2}O{sub 7} dimers. In all the compounds, Li{sup +} cations reside in framework cavities. The topologies of the 3-D frameworks can be described as derivatives of the PtS (cooperite) network. - Graphical abstract: Polyhedral and topological presentation of Li{sub 2}[(UO{sub 2}){sub 3}(P{sub 2}O{sub 7}){sub 2}] crystal structure.« less
  • Using Magic Angle Spinning (MAS) {sup 13}C NMR the authors have characterized various crystalline solids made of C{sub 60} molecules. They show that the characteristics of the expected unique resonance depend on the large number of parameters or conditions among which: (i) the solvent used during extraction and crystallization, (ii) the temperature and duration of a thermal treatment, (iii) the amount and nature of lattice defects present in the system. The obtained results are analyzed and discussed on the light of the various structural models which apply to these systems.