Structures and Electronic Spectra of C70R2(R=OH, CH3)

Chem. J. Chinese Universities ›› 1997, Vol. 18 ›› Issue (6): 947.

• Articles • Previous Articles Next Articles

Structures and Electronic Spectra of C₇₀R₂(R=OH, CH₃)

TENG Qi-Wen¹, WU Shi¹, HAO Ce¹, ZHAo Xue-Zhuang¹, TANG Au-Chin², FENG Ji-Kang²

1. Department of Chemistry, Nankai University, Tianjin, 300071;
2. Institute of Theoretical Chemistry, Jilin University, Changchun, 130023

Received:1996-06-10 Online:1997-06-24 Published:1997-06-24

Abstract

Abstract: The structures and stabilities of the four isomers of C₇₀R₂(R=OH, CH₃) were in-vestigated by using INDOmethods. It was indicated that the most stable isomers for C₇₀(OH)₂ are 1, 9- and 7, 8-isomers, of which the decrease of energy is 38.5 kJ/mol, and 7, 8-isomer of C₇₀(CH,)₂ is more stable than₁, 9-isomer by 23. 0 kJ/mol. The theoretical pre-diction for the electronic spectra of C₇₀R₂(R=OH, CH₃) was performed based on the opti-mised geometries, and the electronic transition was assigned as well as the red-shift of the absorptions was rationalized.

Key words: C₇₀R₂(R=OH, CH₃), Electronic spectra, INDO

TrendMD:

TENG Qi-Wen, WU Shi, HAO Ce, ZHAo Xue-Zhuang, TANG Au-Chin, FENG Ji-Kang. Structures and Electronic Spectra of C₇₀R₂(R=OH, CH₃)[J]. Chem. J. Chinese Universities, 1997, 18(6): 947.

[1]	HUANG Qiuhong, LI Wenjun, LI Xin. Organocatalytic Enantioselective Mannich-type Addition of 5H-Oxazol-4-ones to Isatin Derived Ketimines [J]. Chem. J. Chinese Universities, 2022, 43(8): 20220131.
[2]	JIN Ruiming, MU Xiaoqing, XU Yan. Bio-chemical Synthesis of Melanin Precursor—— 5，6-Dihydroxyindole（DHI） [J]. Chem. J. Chinese Universities, 2022, 43(8): 20220134.
[3]	LI Lei, FANG Yun, XIA Yongmei, FAN Mengqi, FAN Ye. Effects of Amine Structures on the pH Window of Oleic Acid Vesicle [J]. Chem. J. Chinese Universities, 2022, 43(8): 20220144.
[4]	LI Lei, FANG Yun, XIA Yongmei, BO Chunling, FAN Ye. Comparative Effects of Mono/disaccharides on Conjugated Linoleic Acid Vesicles at Near Neutral pH [J]. Chem. J. Chinese Universities, 2022, 43(4): 20210860.
[5]	MU Hongwen, WU Hao, GAO Yingying, JIN Ying, WANG Liming. Organocatalyzed Asymmetric Friedel-Crafts Alkylation in the Carbocyclic Ring of Indole [J]. Chem. J. Chinese Universities, 2022, 43(2): 20210571.
[6]	LIU Miao, LIU Ruibo, LIU Badi, QIAN Ying. Synthesis， Two-photon Fluorescence Imaging and Photodynamic Therapy of Lysosome-targeted Indole-BODIPY Photosensitizer [J]. Chem. J. Chinese Universities, 2022, 43(10): 20220326.
[7]	LI Pengjie, ZHOU Chunni, WANG Zetian, ZHENG Ziang, ZHANG Yumin, WANG Liang, XIAO Biao. Rhodium⁃catalyzed C—H Alkenylation of Indoles and Vinyltriethoxysilane [J]. Chem. J. Chinese Universities, 2021, 42(8): 2450.
[8]	FAN Ye, FAN Mengqi, FANG Yun, LI Lei, PAN Hongyang, XIA Yongmei. Size Polydispersity of Oleic Acid Vesicles and Effects of Diols on the pH Window of the Vesicles [J]. Chem. J. Chinese Universities, 2021, 42(8): 2574.
[9]	TIAN Shengqiao, WEI Meiju. Reaction Mechanism for Rh（Ⅱ）-catalyzed ［3+3］ Cyclization of Indole Derivatives and Propertis of Product [J]. Chem. J. Chinese Universities, 2021, 42(6): 1899.
[10]	ZHOU Jieqiong, HUANG Yan, ZHANG Zhiling, PANG Daiwen, TIAN Zhiquan. Water-soluble Ag₂Te Quantum Dots with Emission in the Second Near-infrared Window [J]. Chem. J. Chinese Universities, 2021, 42(6): 2072.
[11]	MA Jinyu, LIU Shuanglei, ZHANG Zhenguo, JIN Junyang, JIA Zhenhua. B（C₆F₅）₃-Catalyzed Synthesis of 3，3′-Bisindolylmethane Derivatives [J]. Chem. J. Chinese Universities, 2020, 41(10): 2225.
[12]	SO Chauming, YUEN Onying, KWONG Fukyee, CHEN Chihchiang, PAI Chengchao, SUN Raymond Waiyin. Application of CM-Phos Ligand in Palladium-catalyzed Cross-coupling Reactions^† [J]. Chem. J. Chinese Universities, 2020, 41(10): 2185.
[13]	LIU Tianwei, ZHANG Sutao, HE Jianghua, ZHANG Yuetao. Metal-free B(C₆F₅)₃ Catalyzed Regioselective Addition of Indole to Phenylacetylene [J]. Chem. J. Chinese Universities, 2019, 40(4): 719.
[14]	LI Bing,WANG Xuemin,BAI Fengying,LIU Shuqing. Synthesises, Structures and Antibacterial Activities of a Series of Rare Earth Nitrogen Heterocyclic Complexes^† [J]. Chem. J. Chinese Universities, 2019, 40(4): 632.
[15]	Yingying ZHANG,Yiwen HUANG,Bing ZHAO,Liyan WANG,Bo SONG. Synthesis of a Colorimetric Fluorescent Probe of Cr ³⁺ and Its Application in Cell Imaging ^† [J]. Chem. J. Chinese Universities, 2019, 40(12): 2486.

Structures and Electronic Spectra of C₇₀R₂(R=OH, CH₃)

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments