The calculation of the spectrum entropy for NF3 and ethylene oxide,  assuming the non-rigid rotator

Adv search

Acta Chimica Sinica ›› 1983, Vol. 41 ›› Issue (11): 1065-1066. Previous Articles Next Articles

Original Articles

按非刚性转子模型计算NF3和环氧乙烷的光谱熵

洪品杰;伍宗敏

云南大学化学系

发布日期:1983-11-15

The calculation of the spectrum entropy for NF3 and ethylene oxide, assuming the non-rigid rotator

HONG PINJIE;WU ZONGMIN

Published:1983-11-15

Share

Abstract

The influence of centrifugal distortion on the rotational energy levels of NF3 and ethylene oxide(C2H4O) is considered. The calculated values of the spectrum entropy of NF3 and C2H4O have been reported from 100-2000K. The results are compared with the values calculated by sundaram.

Key words: THERMODYNAMIC PROPERTIES, CALCULATION, NITROGEN COMPOUNDS, FLUORIDE, ENTROPY, ETHYLENE OXIDE, ROTATOR MODEL, PROPELLANTS

CLC Number:

O642

Cite this article

HONG PINJIE;WU ZONGMIN. The calculation of the spectrum entropy for NF3 and ethylene oxide, assuming the non-rigid rotator[J]. Acta Chimica Sinica, 1983, 41(11): 1065-1066.

[1]	Ning Li, Lina Xu, Guoyong Fang, Yingjin Ma. Fault-tolerant Coded Quantum Chemical Distributed Calculation [J]. Acta Chimica Sinica, 2024, 82(2): 138-145.
[2]	Jian Zheng, Jin-Hong Lin, Ji-Chang Xiao. Difluorocarbene-based Trifluoromethylthiolation of Aryl and Alkenyl Iodides [J]. Acta Chimica Sinica, 2024, 82(2): 115-118.
[3]	Guanglong Huang, Xiao-Song Xue. Computational Study on the Mechanism of Chen’s Reagent as Trifluoromethyl Source [J]. Acta Chimica Sinica, 2024, 82(2): 132-137.
[4]	Jia Yanggang, Chen Shijie, Shao Xia, Cheng Jie, Lin Na, Fang Daolai, Mao Aiqin, Li Canhua. Preparation and High-performance Lithium-ion Storage of Cobalt-free Perovskite High-entropy Oxide Anode Materials [J]. Acta Chimica Sinica, 2023, 81(5): 486-495.
[5]	Zhao Zhenxin, Yao Yikun, Chen Jiajun, Niu Rong, Wang Xiaomin. A High-entropy Phosphate Cathode Host towards High-stability Lithium-sulfur Batteries [J]. Acta Chimica Sinica, 2023, 81(5): 496-501.
[6]	Wanying Chang, Yingying Tan, Jingyi Wu, Yingjie Liu, Jinhai Cai, Chunyan Lai. Study on the Properties of Polyethylene Oxide Based Solid State Electrolyte Enhanced by Three-Dimensional Structured Li_6.28La₃Zr₂Al_0.24O₁₂ [J]. Acta Chimica Sinica, 2023, 81(12): 1708-1715.
[7]	Juan Wang, Huamin Xiao, Ding Xie, Yuanru Guo, Qingjiang Pan. Density Functional Theory Study of Structures of Copper-doped and Graphitic Carbon Nitride-combined Zinc Oxides and Their Boosted Nitrogen Dioxide-sensing Performance [J]. Acta Chimica Sinica, 2023, 81(11): 1493-1499.
[8]	Xiandan Chai, Wenfa Chen, Qiunan Yan, Binwen Liu, Xiaoming Jiang, Guocong Guo. Rb₂MGe₃S₈ (M=Zn, Cd): Non-Centrosymmetry Transformation Led by Structure Change of [MGe₃S₈]^2- Unit^※ [J]. Acta Chimica Sinica, 2022, 80(5): 633-639.
[9]	Rui Guo, Xing Wei, Moyun Cao, Yan Zhang, Yun Yang, Jibin Fan, Jian Liu, Ye Tian, Zekun Zhao, Li Duan. Optical and Tunable Electronic Properties of AlAs/InSe Van Der Waals Heterostructures [J]. Acta Chimica Sinica, 2022, 80(4): 526-534.
[10]	Yunxia Song, Fei Liang, Haotian Tian, Yan Wu, Min Luo. Molecular Engineering Design of the First Sr₂Be₂B₂O₇-type Fluoride Carbonates AMgLi₂(CO₃)₂F (A=K, Rb) as Deep-Ultraviolet Birefringent Crystal^※ [J]. Acta Chimica Sinica, 2022, 80(2): 105-109.
[11]	Songwei Tian, Lixue Zhou, Bingqian Zhang, Jianjun Zhang, Xiaofan Du, Hao Zhang, Sijia Hu, Zhixiang Yuan, Pengxian Han, Suli Li, Wei Zhao, Xinhong Zhou, Guanglei Cui. Key Advances of High-voltage Solid-state Lithium Metal Batteries Based on Poly(ethylene oxide) Polymer Electrolytes [J]. Acta Chimica Sinica, 2022, 80(10): 1410-1423.
[12]	Feiran Wang, Fengjing Jiang. Construction of Three-dimensional Ion-conducting Channels of Poly(vinylidene fluoride) Membranes and Their Performance in Vanadium Redox Flow Battery [J]. Acta Chimica Sinica, 2021, 79(9): 1123-1128.
[13]	Kai Qiu, Mingxia Yan, Shouwang Zhao, Shengli An, Wei Wang, Guixiao Jia. Theoretical Study on the Structural Stability and Oxygen Ion Oxidation of Al-doped Lithium-ion Battery Layered Cathode Li(Li_0.17Ni_0.17Al_0.04Fe_0.13Mn_0.49)O₂ [J]. Acta Chimica Sinica, 2021, 79(9): 1146-1153.
[14]	Yan Wang, Yingqi Tian, Zhong Jin, Bingbing Suo. Hartree-Fock and Density Functional Calculations on Graphics Processing Unit [J]. Acta Chimica Sinica, 2021, 79(5): 653-657.
[15]	Si Wang, Jialing Ma, Lifang Chen, Xin Zhang. Role of Synergistic Effect in Oxygen Evolution Reaction over Layered Double Hydroxide [J]. Acta Chimica Sinica, 2021, 79(2): 216-222.

按非刚性转子模型计算NF3和环氧乙烷的光谱熵

The calculation of the spectrum entropy for NF3 and ethylene oxide, assuming the non-rigid rotator

PDF

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments