HKUST-1性质表

HKUST-1的一些性质如下所述。

基本信息

中文名：均苯三甲酸铜(II)
通用名：HKUST-1
化学式：[Cu₃(C₉H₃O₆)₂(H₂O)₃]_n
CAS号：222404-02-6
英文名：Triaqua[μ-[1,3,5-benzenetricarboxylato(3-)-κO1:κO'1]][μ3-[1,3,5-benzenetricarboxylato(3-)-κO1:κO3:κO'1]]tricopper
外观：蓝绿色晶体（三水）或暗蓝色固体（无水）

结构性质

结构性质
晶体结构	面心立方
空间群	Fm3m^[1]
晶胞参数	a=26.2833(2)（100 K） a=26.2600(3)（356 K） a=26.2424(4)（500 K）^[1]
键长	Cu-Cu：2.628(2) A Cu-OCO：1.952(3) A Cu-OH₂ = 2.165(8) A^[2]
键角
孔径	4.0 ~ 8.0 A^[3]
CCDC数据库	链接（页面存档备份，存于互联网档案馆）
晶胞原子统计
原子质量比（原子数比）	C 35.7% (46.2%) H 1.00% (15.4%) O 31.7% (30.8%) Cu 31.5% (7.7%)^[4]
差分电荷（晶胞内原子数）^[5]	Cu 1.098 (48) O −0.665 (192) 羧基C 0.778 (96) 苯环C(连接羧基) −0.092 (96) 苯环C(连接H) −0.014(96) 苯环H 0.109 (96)

表面化学性质

气体吸附
二氧化碳	11.21 mmol/g（乙二胺溶剂热法，293 K、1 MPa）^[6]
甲烷	9.84 mmol/g（DMF溶剂热，处理温度230 °C）^[7]
氮气	~400 cm³/g（乙酸和乙醇混合溶剂，STP）^[8]
溶质吸附
噻吩	进料量 310 mg/L 穿透点 32 mL/g （固定床）^[9]
刚果红	400 mg/g（DMF溶剂热，微量HBF₄存在）^[10]

谱图性质

UV-Vis
λ_max
消光系数（英语：molar absorptivity）
IR
Major absorption bands	参见文献^[11]
MS及TG
热重分析	523 K（失去框架中吸附的水分子及所含的有机溶剂） 583~643 K（框架分解）^[12]
XRD
XRD图谱	参见文献^[11]^[13]

参考文献

^ ^1.0 ^1.1 Yue Wu, Atsushi Kobayashi, Gregory J. Halder, Vanessa K. Peterson, Karena W. Chapman, Nina Lock, Peter D. Southon, Cameron J. Kepert. Negative Thermal Expansion in the Metal-Organic Framework Material Cu3(1,3,5-benzenetricarboxylate)2. Angewandte Chemie International Edition. 2008-11-03, 47 (46): 8929–8932 [2018-04-16]. ISSN 1521-3773. doi:10.1002/anie.200803925 （英语）.
^ Stephen S.-Y. Chui, Samuel M.-F. Lo, Jonathan P. H. Charmant, A. Guy Orpen, Ian D. Williams. A Chemically Functionalizable Nanoporous Material [Cu3(TMA)2(H2O)3]n. Science. 1999-02-19, 283 (5405): 1148–1150 [2018-04-16]. ISSN 0036-8075. doi:10.1126/science.283.5405.1148. （原始内容存档于2018-04-01）（英语）.
^ Nak Cheon Jeong, Bappaditya Samanta, Chang Yeon Lee, Omar K. Farha, Joseph T. Hupp. Coordination-Chemistry Control of Proton Conductivity in the Iconic Metal–Organic Framework Material HKUST-1. Journal of the American Chemical Society. 2011-12-14, 134 (1): 51–54 [2018-09-02]. ISSN 0002-7863. doi:10.1021/ja2110152. （原始内容存档于2019-02-16）（英语）. . Supporting Information.
^ Cu₃(C₉H₃O₆)₂原子统计（页面存档备份，存于互联网档案馆）. Retrieved from WolframAlpha. [2018.9.3]
^ Nadeen Al-Janabi, Xiaolei Fan, Flor R. Siperstein. Assessment of MOF’s Quality: Quantifying Defect Content in Crystalline Porous Materials. The Journal of Physical Chemistry Letters. 2016-04-07, 7 (8): 1490–1494 [2018-09-03]. ISSN 1948-7185. doi:10.1021/acs.jpclett.6b00297. （原始内容存档于2019-02-16）（英语）. Supporting Information
^ Song F J, Rose M, Senkovska I, et al. A protophilic solvent-assisted solvothermal approach to Cu-BTC for enhanced CO2 capture. Appl Organomet Chem, 2015, 29(9): 612
^ 宋佳, 王刚, 赵亮,等. 程序升温处理对HKUST-1吸附甲烷性能的影响[J]. 石油化工, 2015, 44(5):586-589.
^ 郑丽明, 朱智洪, 孙惠惠,等. 模板法制备介微双孔HKUST-1材料[J]. 功能材料, 2015, 46(11):11112-11117.
^ 那立艳, 张丽影, 张伟,等. 室温下金属有机骨架材料Cu₃(BTC)₂的合成与表征[J]. 功能材料, 2015, 46(12):12079-12081.
^ 王蕾, 张金苗, 吕建波,等. HKUST-1晶格空位的构建及对偶氮染料吸附的影响[J]. 环境工程学报, 2018(5).
^ ^11.0 ^11.1 Zong-Qun Li, Ling-Guang Qiu, Tao Xu, Yun Wu, Wei Wang, Zhen-Yu Wu, Xia Jiang. Ultrasonic synthesis of the microporous metal–organic framework Cu3(BTC)2 at ambient temperature and pressure: An efficient and environmentally friendly method. Materials Letters: 78–80. [2018-04-16]. doi:10.1016/j.matlet.2008.09.010. （原始内容存档于2018-04-17）. . Supplement Information for IR data
^ Chunling Xin, Xi Jiao, Yanlong Yin, Haijuan Zhan, Hongguang Li, Lei Li, Ning Zhao, Fukui Xiao, Wei Wei. Enhanced CO2 Adsorption Capacity and Hydrothermal Stability of HKUST-1 via Introduction of Siliceous Mesocellular Foams (MCFs). Industrial & Engineering Chemistry Research. 2016-03-22, 55 (29): 7950–7957 [2018-09-03]. ISSN 0888-5885. doi:10.1021/acs.iecr.5b04022. （原始内容存档于2019-10-17）（英语）.
^ Miyuki HASHIMOTO, Satoshi OKAJIMA, Toshihiro KONDO, Kenji HARA, Wang-Jae CHUN. Thin Film Structures of Metal-Organic Framework [Cu3(BTC)2(H2O)3]n on TiO2(110). Electrochemistry. 2014-05-05, 82 (5): 335–337 [2018-04-16]. ISSN 1344-3542. doi:10.5796/electrochemistry.82.335. （原始内容存档于2019-10-17）（英语）.

[Wu-1] 1.0 ^1.1 Yue Wu, Atsushi Kobayashi, Gregory J. Halder, Vanessa K. Peterson, Karena W. Chapman, Nina Lock, Peter D. Southon, Cameron J. Kepert. Negative Thermal Expansion in the Metal-Organic Framework Material Cu3(1,3,5-benzenetricarboxylate)2. Angewandte Chemie International Edition. 2008-11-03, 47 (46): 8929–8932 [2018-04-16]. ISSN 1521-3773. doi:10.1002/anie.200803925 （英语）.

[Chui-2] Stephen S.-Y. Chui, Samuel M.-F. Lo, Jonathan P. H. Charmant, A. Guy Orpen, Ian D. Williams. A Chemically Functionalizable Nanoporous Material [Cu3(TMA)2(H2O)3]n. Science. 1999-02-19, 283 (5405): 1148–1150 [2018-04-16]. ISSN 0036-8075. doi:10.1126/science.283.5405.1148. （原始内容存档于2018-04-01）（英语）.

[3] Nak Cheon Jeong, Bappaditya Samanta, Chang Yeon Lee, Omar K. Farha, Joseph T. Hupp. Coordination-Chemistry Control of Proton Conductivity in the Iconic Metal–Organic Framework Material HKUST-1. Journal of the American Chemical Society. 2011-12-14, 134 (1): 51–54 [2018-09-02]. ISSN 0002-7863. doi:10.1021/ja2110152. （原始内容存档于2019-02-16）（英语）. . Supporting Information.

[4] Cu₃(C₉H₃O₆)₂原子统计（页面存档备份，存于互联网档案馆）. Retrieved from WolframAlpha. [2018.9.3]

[5] Nadeen Al-Janabi, Xiaolei Fan, Flor R. Siperstein. Assessment of MOF’s Quality: Quantifying Defect Content in Crystalline Porous Materials. The Journal of Physical Chemistry Letters. 2016-04-07, 7 (8): 1490–1494 [2018-09-03]. ISSN 1948-7185. doi:10.1021/acs.jpclett.6b00297. （原始内容存档于2019-02-16）（英语）. Supporting Information

[6] Song F J, Rose M, Senkovska I, et al. A protophilic solvent-assisted solvothermal approach to Cu-BTC for enhanced CO2 capture. Appl Organomet Chem, 2015, 29(9): 612

[7] 宋佳, 王刚, 赵亮,等. 程序升温处理对HKUST-1吸附甲烷性能的影响[J]. 石油化工, 2015, 44(5):586-589.

[8] 郑丽明, 朱智洪, 孙惠惠,等. 模板法制备介微双孔HKUST-1材料[J]. 功能材料, 2015, 46(11):11112-11117.

[9] 那立艳, 张丽影, 张伟,等. 室温下金属有机骨架材料Cu₃(BTC)₂的合成与表征[J]. 功能材料, 2015, 46(12):12079-12081.

[10] 王蕾, 张金苗, 吕建波,等. HKUST-1晶格空位的构建及对偶氮染料吸附的影响[J]. 环境工程学报, 2018(5).

[Li-11] 11.0 ^11.1 Zong-Qun Li, Ling-Guang Qiu, Tao Xu, Yun Wu, Wei Wang, Zhen-Yu Wu, Xia Jiang. Ultrasonic synthesis of the microporous metal–organic framework Cu3(BTC)2 at ambient temperature and pressure: An efficient and environmentally friendly method. Materials Letters: 78–80. [2018-04-16]. doi:10.1016/j.matlet.2008.09.010. （原始内容存档于2018-04-17）. . Supplement Information for IR data

[12] Chunling Xin, Xi Jiao, Yanlong Yin, Haijuan Zhan, Hongguang Li, Lei Li, Ning Zhao, Fukui Xiao, Wei Wei. Enhanced CO2 Adsorption Capacity and Hydrothermal Stability of HKUST-1 via Introduction of Siliceous Mesocellular Foams (MCFs). Industrial & Engineering Chemistry Research. 2016-03-22, 55 (29): 7950–7957 [2018-09-03]. ISSN 0888-5885. doi:10.1021/acs.iecr.5b04022. （原始内容存档于2019-10-17）（英语）.

[13] Miyuki HASHIMOTO, Satoshi OKAJIMA, Toshihiro KONDO, Kenji HARA, Wang-Jae CHUN. Thin Film Structures of Metal-Organic Framework [Cu3(BTC)2(H2O)3]n on TiO2(110). Electrochemistry. 2014-05-05, 82 (5): 335–337 [2018-04-16]. ISSN 1344-3542. doi:10.5796/electrochemistry.82.335. （原始内容存档于2019-10-17）（英语）.

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