Experimental and Theoretical Studies on the Structures, IR Spectrum and Inter-molecular Interaction of p-Methoxybenzaldoxime

Chem. J. Chinese Universities ›› 2006, Vol. 27 ›› Issue (5): 897.doi:

Previous Articles Next Articles

Experimental and Theoretical Studies on the Structures, IR Spectrum and Inter-molecular Interaction of p-Methoxybenzaldoxime

LIN Xian-Jie¹, XU Wei-Ren ^1,2, WANG Jian-Wu¹, LIU Cheng-Bu ^1*

1. College of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China;
2. Tianjin Institute of Pharmaceutical Research, Tianjin 300193, China

Received:1900-01-01 Revised:1900-01-01 Online:2006-05-10 Published:2006-05-10
Contact: LIU Cheng-Bu

Abstract

Abstract:

The melting point, crystal structure, IR spectrum and inter-molecular interaction of Z and E p-methoxybenzaldoxime were studied by experiment and ab initio method. There exists obvious difference in physical properties including melting point, crystal structure and IR spectrum between Z and E p-methoxybenzaldoxime. The double zigzag chain and the repeated unit, dimmer, were found in Z and E p-methoxybenzaldoxime crystal respectively. It is shown that the type of crystal, the intensity of H-bond and the distribution of charge are the essential factors resulting in the abnormality of the melting point and IR spectrum of p-methoxybenzaldoxime.

Key words: p-Methoxybenzaldoxime; Inter-molecular interaction; Experiment; Ab initio method

CLC Number:

O641
','1');return false;" target="_blank">
O641

TrendMD:

LIN Xian-Jie¹, XU Wei-Ren ^1,2, WANG Jian-Wu¹, LIU Cheng-Bu ^1*. Experimental and Theoretical Studies on the Structures, IR Spectrum and Inter-molecular Interaction of p-Methoxybenzaldoxime[J]. Chem. J. Chinese Universities, 2006, 27(5): 897.

[1]	MEI Ze-Min^1,3, DING Hong², MU Ying^1*, SU Qing¹. Luminescence Properties and Substituent Effect of Bis(4-R-1,2-diphenyl\| cyclopentadienyl) Zirconium Dichloride Compounds [J]. Chem. J. Chinese Universities, 2006, 27(5): 901.
[2]	CHEN Lan-Hui ^1,2 , HU Dong-Hua ^1,2 , WANG Dao-Wu², YANG Shuang-Yang¹, SU Zhong-Min ^1* , Liu Shu-Ying ^2*. Stability Analysis of Berberine Fragment Ions by Mass Spectrometry and Quantum Chemistry Studies on Fragmentation Mechanism [J]. Chem. J. Chinese Universities, 2006, 27(5): 905.
[3]	WANG Min, ZHANG Xiao-Yu, GONG Mao-Chu, CHEN Qing-Quan, CHEN Yao-Qiang*. Preparation and Properties of Low Cerium Content Ce-Zr-Y Oxygen Storage Material with High Thermal Stability and High Specific Surface Area [J]. Chem. J. Chinese Universities, 2006, 27(5): 944.

Experimental and Theoretical Studies on the Structures, IR Spectrum and Inter-molecular Interaction of p-Methoxybenzaldoxime

PDF (PC)

Knowledge

Cited

Abstract

Cite this article

share this article

References

Related Articles 3

Recommended Articles

Metrics

Comments