Crystal structure, FT-IR, FT-Raman and DFT studies on a novel compound [Cb>10 b>Hb>9 b>Nb>3 b>]b>4 b>AgNOb>3 b>
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- 作者：Mustafa Tuğfan Bilkana ; b ; Şenay Yurdakula ; senayy@gazi.edu.tr" class="auth_mail" title="E-mail the corresponding author ; Zeynep Demircioğluc ; Orhan Bü ; yü ; kgü ; ngö ; rc
- 关键词：N-(pyridin-2-yl)pyridin-2-amine ; Silver nitrate complex ; FT-IR and FT-Raman spectra ; Crystal structure ; HOMO-LUMO energies
- 刊名：Journal of Organometallic Chemistry
- 出版年：2016
- 出版时间：1 March 2016
- 年：2016
- 卷：805
- 期：Complete
- 页码：108-116
- 全文大小：1397 K
文摘
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The novel crystal structure of N-(pyridin-2-yl)pyridin-2-amine was synthesized.
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FT-IR spectra of the new crystal structure have been recorded at far and mid regions.
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The molecular, vibrational, and some thermochemical properties have computed.
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The HOMO-LUMO energies have also computed.
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The calculated data have been compared with experimental ones.