Journal ArticleDOI
Electronic spectral studies and DFT computational analysis of hydrogen bonded charge transfer complexes between chloranilic acid and 2,5-dihydroxy-p-benzoquinone with 2-amino-4-methylbenzothiazole in methanol
Reem M. Alghanmi,Saied M. Soliman,Saied M. Soliman,Maram T. Basha,Moustafa M. Habeeb,Moustafa M. Habeeb +5 more
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TLDR
In this article, two new hydrogen-bonded charge transfer complexes between two electron acceptors (hydrogen bond donors), chloranilic acid (CA) and 2,5-dihydroxybenzoquinone (DHBQ) with an electron donor, 2-amino-4-methylbenzothiazole (AMBTZ) have been experimentally and theoretically studied in methanol.About:
This article is published in Journal of Molecular Liquids.The article was published on 2018-04-15. It has received 43 citations till now. The article focuses on the topics: Chloranilic acid & Hydrogen bond.read more
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Synthesis, spectroscopic studies and DFT/TD-DFT/PCM calculations of molecular structure, spectroscopic characterization and NBO of charge transfer complex between 5-amino-1,3-dimethylpyrazole (5-ADMP) with chloranilic acid (CLA) in different solvents
TL;DR: In this article, a charge transfer complex between the n- and π-donor 5-amino-1,3-dimethyl pyrazole (5-ADMP) with the πacceptor chloranilic acid was synthesized and characterized experimentally and theoretically.
Journal ArticleDOI
Incorporation of Complexation into a Coamorphous System Dramatically Enhances Dissolution and Eliminates Gelation of Amorphous Lurasidone Hydrochloride
Weili Heng,Meiling Su,Hao Cheng,Peiya Shen,Shujun Liang,Linghe Zhang,Yuanfeng Wei,Yuan Gao,Jianjun Zhang,Shuai Qian +9 more
TL;DR: Surprisingly, a supramolecular coamorphous system of LH with L-cysteine hydrochloride (CYS) was prepared and characterized and was able to eliminate gelation of amorphous LH during dissolution, and exhibited superior physical stability under the long-term storage condition.
Journal ArticleDOI
Donor-acceptor complex of 1-benzoylpiperazine with p-chloranil: Synthesis, spectroscopic, thermodynamic and computational DFT gas phase/PCM analysis
Nampally Venkatesh,Baindla Naveen,Abbu Venugopal,Gangadhari Suresh,Varukolu Mahipal,Palnati Manojkumar,Tigulla Parthasarathy +6 more
TL;DR: In this article, a new charge transfer (CT) complex is formed between the n- and π -donor 1-Benzoylpiperazine (1-BNZP) with π- acceptor p-chloranil (CHL).
Journal ArticleDOI
Synthesis, spectroscopic, thermal, structural characterization and DFT/TD-DFT computational studies for charge transfer complexes of 2,4-diamino pyrimidine with some benzoquinone acceptors
TL;DR: In this paper, two charge transfer complexes between the donor 2,4-diamino pyrimidine (DAPY) and the π-acceptors, chloranilic acid (CHA) and 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ) were synthesized and characterized.
Journal ArticleDOI
X-ray crystal structure, spectroscopic and DFT computational studies of H-bonded charge transfer complexes of tris (hydroxymethyl)aminomethane (THAM) with chloranilic acid (CLA)
Ali El-Dissouky,Tarek E. Khalil,Hemmat A. Elbadawy,Doaa S. El-Sayed,Asmaa A. Attia,Sabine Foro +5 more
TL;DR: In this article, the crystal and molecular structures of two new synthesized charge transfer complexes produced from the reaction of tris(hydroxymethyl)aminomethane, THAM and 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone (chloranilic acid, CLA) in the mole ratios (2:1) [I] and (1: 1) [II], have been studied.
References
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Density‐functional thermochemistry. III. The role of exact exchange
TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.
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A Spectrophotometric Investigation of the Interaction of Iodine with Aromatic Hydrocarbons
H. A. Benesi,Joel H. Hildebrand +1 more
TL;DR: In this paper, it was shown that the position of the absorption bands of iodine solutions in the visible region moved gradually from violet to brown, the shift being only small in the case of benzene in which the color of iodine is a red-violet.
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