Vibrational, electronic absorption, thermal and mechanical analyses of organic nonlinear optical material guanidinium phthalate

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• 作者：T. Uma Devi^a ; A. Josephine Prabha^b ; R. Meenakshi^c ; ^{lr.santhameena@gmail.com} ; G. Kalpana^a ; C. Surendra Dilip^d
• 关键词：FT-IR ; NLO ; DFT ; TG ; DTA
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：1130
• 期：Complete
• 页码：472-479
• 全文大小：1385 K
• 卷排序：1130

文摘

UV–Vis spectrum shows that the GUP crystal is optically transparent. FTIR spectrum has also been recorded and analyzed. The lowering of the HOMO-LUMO energy gap value has substantial influence on the intramolecular charge transfer and nonlinearity of the molecule. The NBO analysis confirms the intramolecular charge transfer. The TG analysis shows GUP is thermally stable up to 275 °C.