Single crystal zeeman effect studies on 35Cl NQR lines of 2,6-dichlorophenol |
| |
| Institution: | 1. Graduate Program in Biological Chemistry, Department of Biological Chemistry, Regional University of Cariri, Crato, CE, Brazil;2. Science and Technology Centre, Course of Chemistry, State University Vale do Acaraú, Sobral, CE, Brazil;3. Group of Theoretical Chemistry and Electrochemistry, State University of Ceará, Campus FAFIDAM, Limoeiro do Norte, CE, Brazil;4. Graduate Program in Natural Science, State University of Ceará, Campus Itaperi, Fortaleza, CE, Brazil;5. Department of Organic and Inorganic chemistry, Federal University of Ceará, Fortaleza, CE, Brazil;6. Department of Physics, State University of Ceara, FECLESC, Quixadá, CE, Brazil;7. Course of Physics, State University of Ceará, Campus FAFIDAM, Limoeiro do Norte, CE, Brazil;1. Department of Chemistry, Kuvempu University, Jnana Sahyadri, Shankaraghatta, Shivmogga, 577 451, Karnataka, India.;2. Department of Chemistry, Vijayanagara Sri Krishnadevaraya University, Ballary, 583 105, Karnataka, India.;3. Department of Pharmaceutical Chemistry, Kuvempu University, Post Graduate Centre, Kadur, Chikkamagaluru, 577 548, Karnataka, India.;4. Department of Microbiology, Kuvempu University, Jnana Sahyadri, Shankaraghatta, Shivmogga, 577 451, Karnataka, India.;1. Engineering Centre for Pharmaceuticals and Advanced Control, School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640, PR China;2. Guangxi Zhongheng Innovative Pharmaceutical Research CO., LTD., Nanning 530001, PR China;3. Guangxi Wuzhou Pharmaceutical (Group) Co., Ltd, Wuzhou 543000, PR China |
| |
| Abstract: | Zeeman effect studies on the two 35Cl NQR lines in cylindrical single crystals of 2,6-dichlorophenol were carried out using a self-quenched super-regenerative NQR spectrometer to obtain information on the nature of the crystalline unit cell and the effect of hydrogen bonding on the electric field gradient tensor. Analysis of the experimental data reveals: (1) the results are in good agreement with those reported from X-ray studies; (2) the crystal is unequivocally identified as belonging to the orthorhombic system; (3) there are two crystallographically equivalent and four physically nonequivalent directions for the principal field gradients for both the low and high frequency resonance lines; (4) the directions of the crystalline a, b, c axes are uniquely identified as (90°, 0°), (0°, −), and (90°, 90°); (5) the b-axis is identified as the growth axis; (6) there are a minimum of four molecules per unit cell, the four molecules lie in different planes, which are, however, connected by symmetry operations; (7)_there exists a weak intramolecular hydrogen bonding in the crystal; (8) the asymmetry parameters for the loci corresponding to the low frequency resonance line, which is affected by hydrogen bonding, are less than the asymmetry parameters of the loci corresponding to the high frequency resonance line, which is not affected by hydrogen bonding; (9) the single bond and ionic bond characters for the hish frequency line are less than that of the low frequency line, while the double bond character for the low frequency line is less than that of the high frequency line and (10) the small deviation between the single bond and double bond characters of the two resonance lines is attributed to the existence of weak hydrogen bonding in the crystal. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
