有哪些信誉好的足球投注网站density functional studies of the dipole polarizabilities of substituted stilbene, azoarene and related push-pull molecules偶极子极化率的密度泛函研究代替对称二苯代乙烯,azoarene和相关的推挽式分子.pdfVIP
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density functional studies of the dipole polarizabilities of substituted stilbene, azoarene and related push-pull molecules偶极子极化率的密度泛函研究代替对称二苯代乙烯,azoarene和相关的推挽式分子
Int. J. Mol. Sci. 2004, 5, 224-238 International Journal of Molecular Sciences ISSN 1422-0067 © 2004 by MDPI /ijms/ Density Functional Studies of the Dipole Polarizabilities of Substituted Stilbene, Azoarene and Related Push-Pull Molecules Alan Hinchliffe 1,*, Beatrice Nikolaidi 1 and Humberto J. Soscún Machado 2 1 The University of Manchester, School of Chemistry (North Campus), Sackville Street, Manchester M60 1QD, UK. 2 Departamento de Química, Fac. Exp. de Ciencias, La Universidad del Zulia, Grano de Oro Módulo No. 2, Maracaibo, Venezuela. * Corresponding author; E-mail: alan.hinchliffe@manchester.ac.uk Received: 3 June 2004; in revised form: 15 August 2004 / Accepted: 16 August 2004 / Published: 30 September 2004 Abstract: We report high quality B3LYP Ab Initio studies of the electric dipole polarizability of three related series of molecules: para- XC H Y, XC H CH=CHC H Y 6 4 6 4 6 4 and XC H N=NC H Y, where X and Y represent H together with the six various 6 4 6 4 activating through deactivating groups NH , OH, OCH CHO, CN and NO . Molecules 2 3, 2 for which X is activating and Y deactivating all show an enhancement to the mean
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