Electrostatic Potentials, Intralattice Attractive Forces and Crystal Densities of Nitrogen-Rich C,H,N,O Salts

被引：28
|
作者：
Politzer, Peter [1 ,2 ]
Lane, Pat [1 ]
Murray, Jane S. [1 ,2 ]
机构：
[1] Univ New Orleans, Dept Chem, New Orleans, LA 70148 USA
[2] CleveProp, 1951 W 26th St, Cleveland, OH 44113 USA
来源：
CRYSTALS | 2016年 / 6卷 / 01期
关键词：
nitrogen-rich; electrostatic potentials; C; H; N; O molecular and ionic compounds; crystal densities; ENERGETIC MATERIALS; DETONATION PROPERTIES; IMPACT SENSITIVITY; MAXIMUM HEAT; DERIVATIVES; PREDICTIONS; PERFORMANCE; POLARIZABILITIES; EXPLOSIVES; MOLECULES;
D O I：
10.3390/cryst6010007
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The computed electrostatic potentials on C,H,N,O molecular solids and nitrogen-rich C,H,N,O salts are used in analyzing and comparing intralattice attractive forces and crystal densities in these two categories of compounds. Nitrogen-rich C,H,N,O salts are not an assured path to high densities. To increase the likelihood of high densities, small cations and large anions are suggested. Caution is recommended in predicting benefits of nitrogen-richness for explosive compounds.
引用
收藏
页数：14
相关论文
共 50 条
  • [31] Chemical Immobilization of H5PMo10V2O40 (PMo10V2) Catalyst on Nitrogen-rich Macroporous Carbon (N-MC) for Use as an Oxidation Catalyst
    Joohyung Lee
    Heesoo Kim
    Kyung Won La
    Dong Ryul Park
    Ji Chul Jung
    Sang Hee Lee
    In Kyu Song
    Catalysis Letters, 2008, 123 : 90 - 95
  • [32] Chemical immobilization of H5PMo10V2O40 (PMo10V2) catalyst on nitrogen-rich macroporous carbon (N-MC) for use as an oxidation catalyst
    Lee, Joohyung
    Kim, Heesoo
    La, Kyung Won
    Park, Dong Ryul
    Jung, Ji Chul
    Lee, Sang Hee
    Song, In Kyu
    CATALYSIS LETTERS, 2008, 123 (1-2) : 90 - 95
  • [33] CRYSTAL-STRUCTURES OF POLYIODIDE SALTS AND MOLECULAR-COMPLEXES .6. CRYSTAL-STRUCTURE OF TETRAKIS(PHENACETIN) DIHYDROGENTETRAIODIDE DIHYDRATE ([H5C2OC6H4N(H)C(CH3)=O]4-H2I4-2H2O)
    HERBSTEIN, FH
    KAPON, M
    SCHWOTZER, W
    HELVETICA CHIMICA ACTA, 1983, 66 (01) : 35 - 43
  • [34] Different packing motifs in the crystal structures of three molecular salts containing the 2-amino-5-carboxyanilinium cation: C7H9N2O2+•Cl-, C7H9N2O2+•Br- and C7H9N2O2+•NO3-•H2O
    Mukombiwa, Edson T.
    Harrison, William T. A.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2020, 76 : 527 - +
  • [35] Exploring Imidazole Binding Flexibility in 2D and 3D Frameworks Using Hypercoordinated Triorganotin Carboxylates Featuring a Nitrogen-Rich Ligand with Benzoic Acid, Diazenyl, and Imidazole Functionalities: Insights into Sn - N, N → Sn, and N - H⋅⋅⋅X (X = N, O) Interactions
    Basu Baul, Tushar S.
    Hlychho, Bietlaichhai
    Manne, Rajesh
    Lycka, Antonin
    Schollmeyer, Dieter
    Jurkschat, Klaus
    Mahmoud, Abdallah G.
    da Silva, M. Fatima C. Guedes
    Vasquez-Rios, Maria G.
    Hopfl, Herbert
    JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS, 2024, 34 (07) : 3281 - 3299
  • [36] Fabrication of Gd2O3-Loaded nitrogen-rich C3N5@PANI hybrid nanocomposites: Unlocking efficient photocatalysis for long-Term organic dye degradation in wastewater treatment
    Raja, A. Antony Christian
    Sinthiya, A. S. I. Joy
    Selvam, V.
    Anitha, C.
    Malathi, B.
    PHYSICA B-CONDENSED MATTER, 2025, 698
  • [37] Nonylphenol polybenzoxazines-derived nitrogen-rich porous carbon (NRPC)-supported g-C3N4/Fe3O4 nanocomposite for efficient high-performance supercapacitor application
    Selvaraj, Kumar
    Yu, Bin
    Sponton, Marisa E.
    Kumar, Premnath
    Veerasamy, Uma Shankar
    Arulraj, Arunachalam
    Mangalaraja, Ramalinga Viswanathan
    Almarhoon, Zainab M.
    Sayed, Shaban R. M.
    Kannaiyan, Dinakaran
    SOFT MATTER, 2024, 20 (39) : 7957 - 7969
  • [38] Novel energetic salts of N-methylene-C-bridged nitrogen-rich heterocycle 5-((5-amino-tetrazol-1-yl)methyl)-1,2,4-triazole-3,4-diamine: Syntheses, characterization, and properties
    Xia, Liang-hong
    Yang, Yue-zhen
    Wang, Yan-na
    Yang, Xiao-ming
    Li, Zhi-min
    Zhang, Tong-lai
    JOURNAL OF MOLECULAR STRUCTURE, 2023, 1285
  • [39] URIC-ACID SALTS OF MAGNESIUM - CRYSTAL AND MOLECULAR-STRUCTURES AND THERMAL-ANALYSIS OF 2 PHASES OF MG(C5H3N4O3)2.8H2O
    DUBLER, E
    JAMESON, GB
    KOPAJTIC, Z
    JOURNAL OF INORGANIC BIOCHEMISTRY, 1986, 26 (01) : 1 - 21
  • [40] Updated atom/functional group and atom_code volume additivity parameters for the calculation of crystal densities of single molecules, organic salts, and multi-fragment materials containing H, C, B, N, O, F, S, P, Cl, Br, and I
    Ammon, Herman L.
    PROPELLANTS EXPLOSIVES PYROTECHNICS, 2008, 33 (02) : 92 - 102
12345