1. Molecular Conformations of Crystalline l-CysteineDetermined with Vibrational Cross Angle Measurements.
- Author
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Chen, Hailong, Bian, Hongtao, Li, Jiebo, Guo, Xunmin, Wen, Xiewen, and Zheng, Junrong
- Subjects
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CYSTEINE , *MOLECULAR conformation , *CRYSTAL structure , *VIBRATION (Mechanics) , *GONIOMETRY (Anatomy) , *CHEMICAL bonds - Abstract
Themolecular conformations of crystalline l-cysteineprepared in its orthorhombic form were determined by the vibrationalcross angle measurements. Its major dihedral angles of chemical bondsdetermined by this method are consistent with the results from diffractionexperiments. In addition, the relative orientations of the chemicalbonds associated with the hydrogen atoms of the NH3+group and the thiol group are also determined. The resultsdemonstrate that the vibrational cross angle method based on the multiple-modeapproach can potentially become a structural tool for determiningmolecular conformations. The major challenges for the method to becomea general molecular structural tool are discussed, and some approachesto address them are proposed. [ABSTRACT FROM AUTHOR]
- Published
- 2013
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