A new coordination compound based on 4-amino-3-(tetrazol-5-yl)-furazan (HAFT): preparation, crystal structure, and thermal properties

Article abstract of DOI:10.1080/00958972.2018.1529308

The green nitrogen-rich coordination compound Cd(SCZ)₂(AFT)₂ (1) (AFT =4-amino-3-(5-tetrazolate)-furazan and SCZ = semicarbazide) was first synthesized and characterized by EA and Fourier Transform Infrared (FT-IR). The single crystal was cultivated and determined with X-ray diffraction. It revealed that 1 crystallizes in the monoclinic space group P2₁/c. A Cd²⁺ ion is coordinated by four N atoms and two O atoms to form a distorted octahedral structure. Among them, two nitrogen atoms are from the two AFT ions and the other four atoms are from two SCZ molecules. The thermal decomposition behavior of 1 was studied with DSC and TG-DTG methods. The apparent activation energy (E), thermal stability, and safety parameters (T_SADT, T_TIT, and T_b) were calculated for 1. Moreover, entropy of activation (ΔS^≠), enthalpy of activation (ΔH^≠), free energy of activation (ΔG^≠), specific heat capacity (C_p), and impact sensitivity were also discussed in detail.

Full text of DOI:10.1080/00958972.2018.1529308

Journal of Coordination Chemistry
ISSN: 0095-8972 (Print) 1029-0389 (Online) Journal homepage: http://www.tandfonline.com/loi/gcoo20
A new coordination compound based on
4-amino-3-(tetrazol-5-yl)-furazan (HAFT):
preparation, crystal structure, and thermal
properties
Zi-Mei Ding, Wen-Li Cao, Xiao-Jing Hang, Xiao Ma, Hui Zheng, Kang-Zhen Xu
& Jie Huang
To cite this article: Zi-Mei Ding, Wen-Li Cao, Xiao-Jing Hang, Xiao Ma, Hui Zheng, Kang-Zhen
Xu & Jie Huang (2018): A new coordination compound based on 4-amino-3-(tetrazol-5-yl)-furazan
(HAFT): preparation, crystal structure, and thermal properties, Journal of Coordination Chemistry,
DOI: 10.1080/00958972.2018.1529308
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JOURNAL OF COORDINATION CHEMISTRY
https://doi.org/10.1080/00958972.2018.1529308
A new coordination compound based on 4-amino-
3-(tetrazol-5-yl)-furazan (HAFT): preparation, crystal
structure, and thermal properties
Zi-Mei Ding, Wen-Li Cao, Xiao-Jing Hang, Xiao Ma, Hui Zheng, Kang-Zhen Xu
and Jie Huang
School of Chemical Engineering, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Northwest
University, Xi’an, PR China
ABSTRACT
ARTICLE HISTORY
Received 18 April 2018
Accepted 17 August 2018
The green nitrogen-rich coordination compound Cd(SCZ)2(AFT)2 (1)
(AFT ¼4-amino-3-(5-tetrazolate)-furazan and SCZ ¼ semicarbazide)
was first synthesized and characterized by EA and Fourier
Transform Infrared (FT-IR). The single crystal was cultivated and
determined with X-ray diffraction. It revealed that 1 crystallizes in
the monoclinic space group P21/c. A Cd2þ ion is coordinated by
four N atoms and two O atoms to form a distorted octahedral struc-
ture. Among them, two nitrogen atoms are from the two AFT ions
and the other four atoms are from two SCZ molecules. The thermal
decomposition behavior of 1 was studied with DSC and TG-DTG
methods. The apparent activation energy (E), thermal stability, and
safety parameters (TSADT, TTIT, and Tb) were calculated for 1.
KEYWORDS
4-Amino-3-(tetrazol-5-yl)-
furazan; cadmium complex;
crystal structure; thermal
properties; thermal safety
¼
¼
Moreover, entropy of activation (DS ), enthalpy of activation (DH ),
¼
free energy of activation (DG ), specific heat capacity (Cp), and
impact sensitivity were also discussed in detail.
1. Introduction
In recent years, a series of energetic coordination compounds were synthesized using
transition metal ions such as Cd2þ, Cu2þ, Zn2þ, Fe2þ, Co2þ, Ni2þ, and Mn2þ as central
CONTACT Jie Huang
huangjie@nwu.edu.cn
Supplemental data for this article can be accessed https://doi.org/10.1080/00958972.2018.1529308.
ß 2018 Informa UK Limited, trading as Taylor & Francis Group

2
Z.-M. DING ET AL.
Scheme 1. Synthesis of HAFT and 1.
metal cations [1–10]. In general, they can be easily prepared through coordination
bonds between a metal center and organic linker. Thus, the synthesis of coordination
polymer networks with these metal ions is of crucial importance [11]. These materials
possess many advantages such as combined facile syntheses, structural versatility,
unique properties, and applications as well as energetic properties [12, 13].
In the continuous research of new energetic materials, high-energy metal com-
plexes are becoming more and more popular [14–18]. Energetic coordination com-
plexes based on high nitrogen content ligands have obtained much attention due to
their excellent energetic properties [19–21]. As we have noticed, based on the impact
of energy and the environment, high energy ligands among the energetic compounds
previously reported were primarily employing triazole/tetrazole/furazan/tetrazine and
their derivatives [22–34].
Recently, nitrogen-rich energetic salts on account of 4-amino-3-(tetrazol-5-yl)-fura-
zan (HAFT) have been reported, all of which are insensitive to impact, relatively high
density, and thermally stable, with good detonation pressure and velocity [35, 36]. In
previous work, Wu et al. reported energetic complexes [Cd(H2O)2(AFT)2]n (2) [17, 18].
Afterward [Cd(NH2NH2)2(AFT)20.7H2O]n (3) and [Cd(NH2NHCOCONHNH2)1.5(AFT)25H2O]n
(4) were also synthesized, in which coordination water molecules of 2 were replaced
by NH2NH2 and NH2NHCOCONHNH2, but the structures of the above compounds con-
tain free water molecules.
Herein, we report a coordination compound Cd(SCZ)2(AFT)2, with SCZ totally replac-
ing coordination water molecules of 2, which is prepared and characterized by X-ray
single-crystal diffraction, EA, and Fourier Transform Infrared (FT-IR). The specific heat
capacity (Cp) and mechanical sensitivity were investigated. The apparent activation
energy (E), thermal stability, and safety parameters (TSADT, TTIT, and Tb) and thermo-
¼
¼
¼
dynamic functions (DS , DH , and DG ) for exothermic decomposition process were
calculated and analyzed. This work will enrich the research on the coordination chem-
istry of HAFT.

JOURNAL OF COORDINATION CHEMISTRY
3
2. Experimental
2.1. Materials and analysis
HAFT was prepared according to Andrianov and Eremeev [37] and the purity was over
99%. The synthesis route is shown in Scheme 1.
Sodium nitrite, ethyl acetate, sodium azide, ammonium chloride, sodium hydroxide,
sodium carbonate, and cadmium nitrate were commercially available from Chinese
Sinopharm Chemical Reagent Company and used as received. Other chemicals were
purchased from Aladdin or Maclin chemical companies and used as received.
Elemental analyses (C, H, and N) were performed on a Vario EL III elemental analyzer
(Elementar Co., Langenselbold, Germany). FT-IR spectra were determined as KBr pellet
for solids using an EQUINX55 spectrometer in the range of 4000–500 cmꢀ1. Differential
scanning calorimeter (DSC) tests were determined using a DSC-Q2000 apparatus (TA
Instruments, New Castle, DE) under a nitrogen atmosphere at a flow rate of 50 mLꢁminꢀ1
;
the heating rates (b) were 5, 10, 15, and 20 ꢂCꢁminꢀ1 from ambient temperature to
375 ꢂC. The TG-DTG experiment was carried out with an SDT-Q600 apparatus (TA
Instruments, New Castle, DE) under a nitrogen gas with a flow rate of 100 mLꢁminꢀ1 at a
heating rate of 10.0 ꢂCꢁminꢀ1. The specific heat capacity (Cp) was determined with a
Micro-DSC III apparatus (SETARAM, Caluire-et-Cuire, France) with the operating tempera-
ture range of 283–333 K and the sample mass was 200 mg. The impact sensitivity was
determined using a ZBL-B impact sensitivity instrument (Nachen Co., Beijing, China).
2.2. Synthesis of Cd(SCZ)2(AFT)2{bis((4-amino-3-(5-tetrazolate)-
furazan)N)bis(semicarbazide-N,O)cadmium(II)} (1)
1 was synthesized as follows: HAFT (2.5 mmol) was dissolved in distilled water (5 mL)
and charged into a glass reactor with a water bath. It was kept under mechanical stir-
ring and heated to 60 ꢃ 65 ꢂC. A Cd(NO3)2 aqueous solution (0.25 mol Lꢀ1, 5 mL) was
added to the HAFT solution during 15 min with continuous stirring. Then, a solution
containing SCZ (5 mmol) [SCZ (aq.): Semicarbazide hydrochloride (5 mmol) was dis-
solved in 5 mL distilled water. Using solid Na2CO3 in deionized water (5 mL) the solu-
tion pH was adjusted to value of 6–7] and the mixture was kept at 60 ꢃ 65 ꢂC for
60 min. Afterward, the solution was cooled to room temperature, the resulting mixture
was filtered and the filtrate allowed to evaporate in an undisturbed condition at ambi-
ent temperature. In the end, single crystals suitable for X-ray measurement was
obtained by evaporation of the mother liquor at room temperature for one day. Yield:
70.8%. Anal. Calcd for C8H14N20O4Cd (%): C, 16.95; H, 2.49; N, 49.43. Found: C, 16.93; H,
2.52; N, 49.40. IR (KBr, cmꢀ1): m(–NH2) ¼ 3493w, 3416w, m(–NH) ¼ 3294w, 2974m,
m(–C ¼ O) ¼ 1644m, m(–C ¼ N) ¼ 1599w, m(N ¼ N)1547w, m(–C–N) ¼ 1396m, 1207w,
1081s, c(–NH2) ¼ 763w.
2.3. Crystal structure determination and refinement
Single crystals of the coordination compound were obtained by solvent evaporation at
ambient temperature. X-ray diffraction data were collected [38] on a Bruker SMART

4
Z.-M. DING ET AL.
Table 1. Crystal data and structure refinement details of 1.
Empirical formula
C8H14N20O4Cd
566.79
296(2)
Monoclinic
Formula weight (gꢁmolꢀ1
)
Temperature (K)
Crystal system
Space group
a (Å)
P21/c
5.2047(11)
11.660(2)
16.019(4)
97.882(3)
962.9(4)
2
1.955
564
2.17–26.63
1.050
0.0270
b (Å)
c (Å)
b (ꢂ)
Volume (Å3)
Z
Dcalc/(gꢁcmꢀ3
F(000)
)
h range/ꢂ
Goodness-of-fit on F2
R1 [I > 2r(I)]
wR2 [I > 2r(I)]
R1 (all data)
wR2 (all data)
CCDC
0.0609
0.0364
0.0650
1831044
APEX CCD X-ray diffractometer using graphite-monochromated Mo-Ka radiation
(k ¼ 0.71073 Å). A semi-empirical absorption correction based on equivalent reflections
was applied [39]. Data reduction was performed using the SAINT program from
BRUKER AXS [40]. The structure was solved by direct methods (SHELXS-2014) [41] and
refined by the full-matrix-block least squares method (SHELXL-2014) [41] on F2 with
anisotropic thermal parameters for all non-hydrogen atoms. H atoms could be gener-
ated from a difference Fourier map or the theoretical models (H1A and H1B could be
generated from a difference Fourier map. Other H atoms could be generated from the
theoretical models). Crystallographic data and refinement parameters are gathered in
Table 1. Selected bond lengths and angles of 1 are listed in Table 2.
3. Results and discussion
3.1. Description of structure
Compound Cd(SCZ)2(AFT)2 crystallizes in the P21/c space group and the unit cell is
comprised of four molecules with the calculated density of 1.955 gꢁcmꢀ3 at 296 K. As
shown in Figure 1, a single molecule consisted of one Cd2þ ion, two SCZ molecules,
and two AFT anions. The central Cd2þ ion is six-coordinate with four nitrogen atoms
and two oxygen atoms to form an octahedral geometry, but the Cd2þ ion is seven-
coordinate in energetic complex 4 [18]. Similarly, hydrazine molecules in 3 [18] and
SCZ molecules in coordination compound 1 present typical bidentate coordination
modes. The furazan-ring does not participate in these compounds. The tetrazole-ring
presents a typical monodentate coordination mode in 1, which is the same as that of
4, but different in 2 and 3. Compared with the above three cadmium salts,
Cd(SCZ)2(AFT)2 is the salt with no crystallization water in its structure. The detailed
geometry data for 1 (Table 2) show that the bond lengths of Cd–N are between
2.317(2) and 2.362(2) Å with an average value of 2.3402 Å and bond lengths of Cd–O
is 2.3029(18) Å. The bond angles of N(6)–Cd(1)–N(8), O(2)–Cd(1)–N(6) and
O(2)–Cd(1)–N(8) are 84.99(8)ꢂ, 90.43(8)ꢂ and 72.11(7)ꢂ, respectively. Cd2þ ion and SCZ

JOURNAL OF COORDINATION CHEMISTRY
5
Table 2. Selected bond lengths (Å) and angles (ꢂ) of 1.
Cd(1)–N(6)
Cd(1)–O(2)
Cd(1)–O(2A)#1
O(2)–Cd(1)–N(6)
O(2A)#1–Cd(1)–N(6)#1
O(2)–Cd(1)–N(8)
N(6)–Cd(1)–N(8)
2.317(2)
2.3029(18)
2.3029(18)
90.43(8)
89.57(8)
72.11(7)
Cd(1)–N(8)
Cd(1)–N(6A)#1
Cd(1)–N(8A)#1
O(2)–Cd(1)–N(6A)#1
O(2A)#1–Cd(1)–N(6A)#1
O(2)–Cd(1)–N(8A)#1
N(6)–Cd(1)–N(8A)#1
2.362(2)
2.317(2)
2.362(2)
89.57(8)
90.43(8)
107.90(7)
95.01(8)
84.99(8)
Symmetry transformations used to generate equivalent atoms: #1: ꢀx, 2ꢀy, 1ꢀz.
Figure 1. Molecular structure of 1.
molecules are almost in the same plane (bond angles of two N and O atoms from SCZ
and Cd2þ cation are 180.00ꢂ). Ring Cd(1)–O(2)–C(4)–N(9)–N(8)–N(10) constitutes the
plane (A): –2.2902xþ 8.0430y – 8.1558z ¼ 4.0163 (mean deviation 0.410 Å). The bond
angles of two N atoms (contraposition AFT groups) and Cd2þ cation are 180.00ꢂ. Ring
atoms Cd(1)–C(3)–N(4)–N(5)–N(6)–N(7) are almost in coplanar in another plane (B):
3.1666xþ 6.8784yþ 7.0872z ¼ 10.3308 (mean deviation 0.829 Å). Planes A and B are
nearly perpendicular to each other with a plane angle of 80.45ꢂ, which is benefiting to
the stability of the structure. There are seven kinds of hydrogen-bond interactions in
the crystal packing of 1 as shown in Table S1. Two kinds of hydrogen-bond interac-
tions [N1 ꢀ H1ꢁꢁꢁO2#1, N8 ꢀ H8ꢁꢁꢁO2#3, symmetry transformation: #1: ꢀ1ꢀx, 2ꢀy, 1ꢀz;
#3: 1þx, y, z] make Cd(SCZ)2(AFT)2 molecule form a 1D chain (Figure S1). The 2-D layer
of Cd(SCZ)2(AFT)2 is constructed by two kinds of hydrogen-bond interactions (Figure
S2) [N1 ꢀ H1ꢁꢁꢁN2#2, N10 ꢀ H10ꢁꢁꢁO1#5, symmetry transformation: #2: ꢀ2ꢀx, 3ꢀy, 1ꢀz;
#5: x, ꢀ1þy, z]. Three other kinds of N–HꢁꢁꢁN interactions [N1–H1ꢁꢁꢁN2#4,
N10–H10ꢁꢁꢁN4#4, N10–H10ꢁꢁꢁN5#4, symmetry transformation: #4: ꢀx, ꢀ0.5þy, 0.5ꢀz]
finally lead to the formation of a 3D network as shown in Figure 2. Those hydrogen
bonds also play an important role in enhancing the stability of 1.

6
Z.-M. DING ET AL.
Figure 2. Packing structure of 1.
Figure 3. DSC curve of 1 at 10 ꢂCꢁminꢀ1
.
3.2. Thermal decomposition behavior
The DSC and TG-DTG data for 1 at heating rates of 10 ꢂC minꢀ1 are shown in Figures
3 and 4, respectively. As can be seen in Figure 3, the DSC curve of 1 consists of two
stages. The first stage is an endothermic stage, which is a melting process and the
melting point is 236 ꢂC. It then starts to decompose at 269 ꢂC, with continuous decom-
position peaks at 302 ꢂC. Corresponding to the process, there is a main mass loss of
38.01% in the TG-DTG curves. The decomposition temperature of Cd(SCZ)2(AFT)2 is
higher than that of RDX and HMX [42] (219 and 275 ꢂC, respectively), but slightly lower
than that of 2 and 3 (318.2 and 320 ꢂC, respectively) [17, 18]. Furthermore, using Tp as
criterion, comparing with other coordination compounds such as [Ni(SCZ)3]TNR [43],

JOURNAL OF COORDINATION CHEMISTRY
7
Figure 4. TG-DTG curves of 1 at 10 ꢂCꢁminꢀ1
.
[Cd2Cl4(HATr)3(H2O)2]
[44],
[Mg(CHZ)3](ClO4)4
[45],
[Cu(DAT)2(PA)2]
and
[Cu(DAT)2(HTNR)2] [46], (NH4)2[Zn(BTA)2(H2O)]ꢁ2H2O, (N2H5)2[Zn(BTA)2(H2O)]ꢁ3H2O, and
(NH3OH)2[Zn(BTA)2(H2O)]ꢁ4H2O [47] (The Tp at heating rates of 10 ꢂC minꢀ1 values are
216.8, 283.25, 284.85, 215.75, 246.05, 222.6, 219.5, and 227.6 ꢂC, respectively.), 1 exhib-
its higher thermal stability. (HTNR =2,4,6-trinitroresorcinol), HATr =3-hydrazino-4-
amino-1,2,4-triazole, CHZ =1,3-diaminourea, DAT =1,5-diaminotetrazole, PA ¼ picric
acid, BTA ¼ N,N-bis(1H-tetrazol-5-yl)amine).
3.3. Non-isothermal kinetics analysis
In this work, based on the first exothermic peak temperatures measured at four differ-
ent heating rates of 5, 10, 15, and 20 ꢂCꢁminꢀ1, Kissinger’s method [48] and
Ozawa–Doyle’s method [49] were applied to obtain the apparent activation energy (E),
the pre-exponential factor (A), and linear correlation coefficients (r). The measured
values of the extrapolated onset temperature (Te) and peak temperature (Tp) of the
exothermic decomposition reaction are listed in Table 3. The values of Te0 and Tp0 in
the stage corresponding to b!0 obtained by Equation (1) [50, 51] are also shown in
Table 3.
T e
¼ T
p0Þ þ abi þ bbi2 þ cbi3
i ¼ 1; 2; 3; 4
(1)
or p i
ðe0 or
ð
Þ
where a, b, and c are coefficients.
From Table 3, the apparent activation energy (E) obtained by the Kissinger method
agrees well with that obtained by the Ozawa method, and the linear correlation coeffi-
cients are all very close to 1. Therefore, the results are credible. The Arrhenius equa-
tion has been obtained, expressed by using the calculated Ea (the average of Ek and
Eo) and ln Ak as follows: lnk ¼ 41.39 – 18.23 ꢄ 103/RT.

8
Z.-M. DING ET AL.
Table 3. The parameters determined by DSC curves at different heating rates (b) of 1.
ꢀ1
b/ꢂCꢁminꢀ1 Te /ꢂC Tp /ꢂC Te0 /ꢂC Tp0 /ꢂC Ek /kJꢁmolꢀ1 log Ak (sꢀ1
)
rk
Eo/ kJꢁmolꢀ1
ro
E/kJꢁmol
218.23
ꢀ
5.0
274.37 295.59 264.80 289.13
283.94 302.05
288.69 307.61
219.04
17.9761
0.9917
217.42
0.9924
10.0
15.0
20.0
292.93 312.34
Subscript k, data obtained by Kissinger method; subscript o, data obtained by Ozawa method
3.4. Thermal stability and safety parameters and thermodynamic functions
Research focusing on energetic materials is not only for seeking high energy, but also
for considering thermal safety. The self-accelerating decomposition temperature (TSADT
or Te0), thermal ignition temperature (TTIT or Tbe0) and critical temperature of thermal
explosion (Tb or Tbp0) are important parameters for evaluating their thermal stability.
TTIT and Tb can be obtained by Equations (2) and (3) [52], respectively. The values of
TSADT, TTIT, and Tb are 264.80, 276.35, and 301.77 ꢂC for 1, respectively. The entropy of
¼
¼
¼
activation (DS ), enthalpy of activation (DH ), and free energy of activation (DG ) of
the thermal decomposition reaction for 1 corresponding to T=Tp0, A=Ak, and Ea =Ek
¼
¼
¼
can be calculated by Equations (4)–(6) [53]. The values of DS , DH , and DG for 1
are 93.94 Jꢁmolꢀ1ꢁKꢀ1, 214.37 kJꢁmolꢀ1, and 161.54 kJꢁmolꢀ1, respectively,
TSADT ¼ Te0
(2)
(3)
ꢀ
ꢁ
qffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi
Tbe0ðbp0Þ
¼
EOꢀ EO2 ꢀ4EORTe0ðp0Þ =2R
¼
=R
A ¼ ðkBT=hÞeDS
(4)
(5)
(6)
#
DH ¼ EaꢀRT
#
#
#
DG ¼ DH ꢀTDG
where kB is the Boltzmann constant (1.381 ꢄ 10ꢀ23 JꢁKꢀ1) and h is the Planck constant
(6.626 ꢄ 10ꢀ34 Jꢁs).
From the results, Tp0 and Tb for Cd(SCZ)2(AFT)2 show higher thermal stability than 3
(260.0 and 281.77 ꢂC, respectively) and 4 [18] (289.13 and 301.77 ꢂC, respectively). The
thermal stability of 1 is similar to that of 2 [17] (296.4 and 300.23 ꢂC).
3.5. Specific heat capacity
The continuous specific heat capacity of 1 was measured by Micro-DSC III, and the results
are given in the Supplementary Material (Figure S3). The specific heat capacity equations
of 1 have been obtained as follows: Cp (Jꢁgꢀ1ꢁKꢀ1) ¼ 4.92483 ꢄ 10 – 4.7294 ꢄ 10ꢀ1T þ 1.
5343 ꢄ 10ꢀ3T2 – 1.6466 ꢄ 10ꢀ6T3 (283 K<T< 333 K), the molar heat capacity is 558.93
Jꢁmolꢀ1ꢁKꢀ1 at 298.15 K. Specific heat capacity of 1 presents a good cubic relationship
with temperature in determined temperature range.

JOURNAL OF COORDINATION CHEMISTRY
9
3.6. Impact sensitivity
Impact sensitivity was determined using a ZBL-B impact sensitivity instrument. The
coordination compound 1 (30 mg) was placed between two steel poles and hit by a
2.0 kg drop hammer at a height of 1.2 m. The test showed that the firing rate was 0%
(>24 J), which was less sensitive to impact than TNT (15.0 J), RDX (7.5 J) and TKX-50
(20 J). In addition, the other three cadmium salt complexes [17, 18] are relatively less
sensitive. Combining with their high nitrogen-content, these coordination compounds
may have a possible application in the field of insensitive high explosive.
4. Conclusion
A new coordination compound based on HAFT was first synthesized and structurally
characterized. The crystal belongs to monoclinic system with space group P21/c. The
central Cd2þ ion is six-coordinate to form an octahedral geometry. The thermal
decomposition behavior of 1 was researched. Results manifest that the decomposition
peak temperature is 302 ꢂC at the heating rate of 10 ꢂCꢁminꢀ1, which is higher than
that of RDX and HMX (219 and 275 ꢂC, respectively) but slightly lower than that of 2
and 3 (318.2 and 320 ꢂC, respectively). The non-isothermal kinetic parameters were
also calculated through the Kissinger and the Ozawa methods, and the Arrhenius
equation of 1 can be expressed as lnk ¼ 41.39 ꢀ 218.23 ꢄ 103/RT. In addition, TSADT, the
thermal ignition temperature (TTIT) and the critical temperature (Tb) of thermal explo-
¼
¼
¼
sion are 264.80, 276.35 and 301.77 ꢂC, respectively. Moreover, DS , DH , and DG of
the thermal decomposition reaction are 93.94 Jꢁmolꢀ1ꢁKꢀ1, 214.37 kJꢁmolꢀ1, and
161.54 kJꢁmolꢀ1, respectively. Besides, the specific heat capacity equation of 1 is Cp
(Jꢁgꢀ1ꢁKꢀ1) ¼ 4.92483 ꢄ 10 – 4.7294 ꢄ 10ꢀ1T þ 1.5343 ꢄ 10ꢀ3T2 ꢀ 1.6466 ꢄ 10ꢀ6T3 (283
K<T< 333 K) and the molar heat capacity is 558.93 Jꢁmolꢀ1ꢁKꢀ1 at 298.15 K.
Coordination compound 1 has relatively less sensitive to impact (>24 J). This work has
not only successfully produced a high-energy material, but also provided direction for
the design and synthesis of a new generation of coordination compounds.
Acknowledgments
The authors are very grateful for financial support.
Disclosure statement
No potential conflict of interest was reported by the authors.
Funding
This article received financial assistance from the National Natural Science Foundation of China
(No. 21241003), the Education Committee Foundation of Shaanxi Province (No. 14JF025), and
the Northwest University Graduate Innovation and Creativity Funds (No. YZZ17145).

10
Z.-M. DING ET AL.
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