Results 11 to 20 of about 32,342 (259)

Asymmetric Monomethine Cyanine Dyes with Hydrophobic Functionalities for Fluorescent Intercalator Displacement Assay

Molecules, 2023
A new green procedure has been applied for the synthesis and purification of asymmetric monomethine cyanine dyes. The photophysical properties of the newly synthesized compounds have been examined by combined application of spectroscopic and theoretical ...
Sonia Ilieva, Nadezhda Bozova, Miroslav Rangelov, Nadezhda Todorova, Aleksey Vasilev, Diana Cheshmedzhieva   +5 more
doaj   +1 more source

Investigations on spectroscopic parameters and molecular constants of SO+ (b4∑-) cation

Acta Physica Sinica, 2012
The potential energy curve (PEC) of b4Σ- electronic state of the SO+ cation is calculated using the internally contracted multireference configuration interaction approach with the Davidson modification (MRCI+Q) for internuclear separations from 0.103 to 1.083 nm. The basis set used is a correlation- consistent aug-cc-pV5Z basis set.
null Xing Wei, null Liu Hui, null Shi De-Heng, null Sun Jin-Feng, null Zhu Zun-Lüe   +4 more
openaire   +1 more source

A High-resolution Spectroscopic Analysis of Aminoacrylonitrile and an Interstellar Search toward G+0.693

The Astrophysical Journal, 2023
Cyanides, ranging from three carbon atoms to polycyclic aromatic hydrocarbons, and alkenyl compounds are abundant in the interstellar medium. Aminoacrylonitrile (3-Amino-2-propenenitrile, H _2 N–CH=CH–C≡N), an alkenyl cyanide, thus represents a promising
D. Alberton, V. Lattanzi, C. Endres, V. M. Rivilla, J. C. Guillemin, P. Caselli, I. Jiménez-Serra, J. Martín-Pintado   +7 more
doaj   +1 more source

Binuclear copper(II) complexes: Synthesis, structural characterization, DNA binding and in silico studies [PDF]

Journal of the Serbian Chemical Society, 2020
Two new binuclear Cu(II) complexes represented by the general formula {(dmso)Cu(μ-L)4Cu(dmso)} (1) and {(Phen)(L)Cu(μ-L)2Cu(L)(Phen)} (2) where dmso = dimethyl sulphoxide, L = 2-bromophenyl acetate and Phen = = 1,10-phenanthroline have been synthesized ...
Kamran Abdul Waheed, Ali Saqib, Tahir Muhammad Nawaz, Zahoor Muhammad, Wadood Abdul, Iqbal Muhammad   +5 more
doaj   +1 more source

Spectroscopic properties and molecular constants of the ground and excited states of SF molecule

Acta Physica Sinica, 2013
The potential energy curves (PEC) for the ground state (X2∏) and three excited states (4∑-, 2∑-, 2Δ) of SF molecule are computed using the multireference configuration interaction method and the basis sets aug-cc-pV6Z where the Davidson correction is considered as an approximation to full CI.
null Zhu Zun-Lüe, null Lang Jian-Hua, null Qiao Hao   +2 more
openaire   +1 more source

An Intruder-Free Fock Space Coupled-Cluster Study of the Potential Energy Curves of LiMg⁺ within the (2,0) Sector

Molecules
The potential energy curves (PECs) and spectroscopic constants of the ground and excited states of a LiMg+ molecular cation were investigated. We obtained accurate results for the fifteen lowest-lying states of the LiMg+ cation using the Intermediate ...
Grzegorz Skrzyński, Monika Musial
doaj   +1 more source

Rotational Spectrum and Conformational Analysis of N-Methyl-2-Aminoethanol: Insights into the Shape of Adrenergic Neurotransmitters

Frontiers in Chemistry, 2018
We describe an experimental and quantum chemical study for the accurate determination of the conformational space of small molecular systems governed by intramolecular non-covalent interactions.
Camilla Calabrese, Assimo Maris, Luca Evangelisti, Anna Piras, Valentina Parravicini, Sonia Melandri   +5 more
doaj   +1 more source

Spectroscopic Characterization of Diazophosphane—A Candidate for Astrophysical Observations

The Astrophysical Journal, 2023
Quite recently, diazophosphane, HP−N≡N, was synthesized for the first time. This was accomplished by a reaction of PH _3 with N _2 under UV irradiation at 193 nm.
Martin Tschöpe, Guntram Rauhut
doaj   +1 more source

Computational and Spectroscopic Investigation of Diaminomethane Formation: The Simplest Geminal Diamine of Astrochemical Interest

Atoms
A high-level ab initio characterization and formation of diaminomethane (DAM), the simplest geminal diamine, is presented to support its spectroscopic detection and astrochemical relevance in the interstellar medium.
Pravi Mishra, Parmanand Pandey, Rachana Singh, Manisha Yadav, Shivani, Aftab Ahamad, Alka Misra, Amritanshu Shukla, Poonam Tandon   +8 more
doaj   +1 more source

Synthesis and characterization of violurate-based Mn(II) and Cu(II) complexes nano-crystallites as DNA-binders and therapeutics agents against SARS-CoV-2 virus

Journal of Saudi Chemical Society, 2022
Synthesis and structural characterization of nano crystallites of bis-violurate-based manganese(II) and copper(II) chelates is the subject of the present study.
Sami A. Al-Harbi
doaj   +1 more source