N-heterocyclic compounds have extensive biological and pharmaceutical applications. 8-Hydroxyquinoline (8-HQ) also plays a significant role in many fields of life. The excellent biological significance of the 8-HQ prompted us to extend the DFT based studies. The frontier molecular orbitals (FMOs), UV-VIS and solvation model based studies remained unknown. Therefore, we intended to study the natural bond orbital, FMOs, UV-VIS, thermodynamic properties and medium influence on solvation energies, dipole moment, FT-IR and FT-Raman using polarizable continuum model (PCM) and density-based solvation model (SMD). The electronic properties of molecule were calculated by M06-2X/6-31G (d,P) and B3LYP/6-31G (d,p) level of theories. The solvent influence on the geometric parameters, FT-IR and FT-Raman were studied by B3LYP /6-31G(d) method. A good correspondence is found between the optimized parameters and the reported X-ray data. Natural bond orbital reveals that the maximum stabilization energy reached up to 39.64kJ/mol which is responsible for extra stability of the molecule. In solvated 8-HQ, a significant medium effects on FT-IR and FT-Raman intensities is observed. The intensities enhanced from gas to solvent phase. The solvation free energies are found to be -28.710 and -39.456 kJ/mol in PCM and SMD models respectively. FMOs suggested that this molecule contain less hardness and larger softness values. These findings reveal that the molecule might be bioactive.
Peter Coebergh departs Brill as CEOBrill, the international academic publisher, announces today that Peter Coebergh will leave Brill as CEO when his term of office will come to an end after the annual general meeting of shareholders that is currently scheduled for 25 May, 2022.Peter Coebergh (1961) joined Brill in 2015 and held the position of EVP Marketing & Sales before being appointed as CEO in 2018. Prior to joining Brill, Peter held several senior executive positions at Springer Science & Business Media (now Springer Nature), which he joined in 2001.Brill is grateful to Peter Coebergh for successfully leading the company over the past four years. Under his leadership, Brill has further prepared itself for a continued positive development as a leading publisher in the field of humanities.
Memiliki penduduk muslim terbesar di dunia membuat warga Indonesia harus menunggu begitu lama untuk dapat bisa melaksanakan ibadah Haji. Hal ini merupakan buah dari kebijakan pemerintah dalam mengatur mekanisme keberangkatan haji bagi WNI, hingga saat ini belum ada solusi yang dapat menyelesaikan permasalahan ini. Oleh karena itu Penulis meneliti mengenai pembatasan pengulangan ibadah haji bagi WNI ditinjau dari pemikiran Ibnu Qayyim Al-Jauziyah. Penilitian ini bertujuan untuk mengetahui apakah pembatasan pengulangan ibadah haji dapat dilakukan. Penelitian ini dilakukan dengan penelitian normatif dan menggunakan tipe penelitian teoretis (theoretical research). Berdasarkan penelitian ini pembatasan haji dapat diimplementasikan di Indonesia.
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