Synthesis and Crystal structure of 3-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)-5-(thiophen-2-yl)-1&lt;i&gt;H&lt;/i&gt;-pyrazole

Raghava, B.; Prasad, T. N. Mahadeva; Lakshminarayana, B. N.; Sridhar, M. A.; Prasad, J. Shashidhara; Rangappa, Kanchugarakoppal S.

doi:10.2116/xraystruct.28.51

Search citation statements

Order By: Relevance

Paper Sections

Select...

Introduction1

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2014

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

(1 citation statement)

References 8 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For example, they can be introduced at the C-4 position of a 1,8-naphthalimide derivative and lead to stronger fluorescence emission [19]. Various synthetic methods for this type of pyrazolines have been reported, such as a microwave method [20], a catalytic method in the present of base [21] a refluxing method [22], and so on.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Crystal Structure, Spectra and Quantum Chemical Study on 1-Phenyl-3-(4-nitrophenyl)-5-(2-thienyl)-2-pyrazoline

Guo

Zhao

et al. 2014

Molecules

View full text Add to dashboard Cite

1-Phenyl-3-(4-nitrophenyl)-5-(2-thienyl)-2-pyrazoline was synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. UV-Vis spectra and fluorescence spectra were measured. Density functional theory calculations on the structure of the title compound were performed at the B3LYP/6-311G** level of theory. NPA atomic charge distributions indicate that, although the S atom in the thienyl ring loses coordination capacity, the title compound still may be used as a potential multi-dentate ligand to coordinate with metallic ions. The calculation of the second order optical nonlinearity was carried out. Natural bond orbital analyses indicate that the electronic absorption bands are mainly derived from the contribution of n → π* and π → π* transitions. Fluorescence spectra determination shows that the title compound is a potential orange-light emitting material.

show abstract