Results 91 to 100 of about 147,809 (300)

(Z)-N-Methyl-2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbothioamide

Acta Crystallographica Section E, 2012
In the title compound, C11H12N4OS, an intramolecular N—H...O hydrogen bond generates an S(6) ring motif. In the crystal, the molecules form a helical chain along the a axis through an N—H...O hydrogen bond.
Amna Qasem Ali, Naser Eltaher Eltayeb, Siang Guan Teoh, Abdussalam Salhin, Hoong-Kun Fun   +4 more
doaj   +1 more source

Pauli's Principle in Probe Microscopy [PDF]

, 2014
Exceptionally clear images of intramolecular structure can be attained in dynamic force microscopy through the combination of a passivated tip apex and operation in what has become known as the "Pauli exclusion regime" of the tip-sample interaction.
A Riss, A Sweetman, AJ Weymouth, C Weiss, C Weiss, CW Wilson, CW Wilson, CW Wilson, D Dieks, D Dieks, DG Oteyza de, E Fermi, EH Lieb, EH Lieb, EH Lieb, EJ Baerends, F Mohn, F Wilczek, FJ Giessibl, G Beylkin, G Kichin, J Welker, J Zhang, JC Slater, JC Slater, JE Sader, JE Sader, JW Rohlf, L Gross, L Gross, L Kantorovich, M Fleischhauer, M Massimi, MAM Versteegh, MV Berry, N Moll, N Pavlicek, NS Ginsberg, PAM Dirac, R Pawlak, R Temirov, RP Feynman, W Pauli, W Pauli, WJ Mullin, WM De Muynck, Y Omar, Z Sun   +47 more
core   +2 more sources

Effects of intramolecular hydrogen bonds on lipophilicity

European Journal of Pharmaceutical Sciences, 2019
Intramolecular hydrogen bonds (IMHBs) affect the lipophilicity and physicochemical properties of small organic molecules and drug candidates. Considering IMHBs in drug design is an important strategy for improving the lipophilicity and physicochemical properties of drug candidates.
Deliang Chen, Mingming Zhao, Wen Tan, Yibao Li, Xun Li, Yongdong Li, Xiaolin Fan   +6 more
openaire   +2 more sources

Beyond the Edge: Charge‐Transfer Excitons in Organic Donor‐Acceptor Cocrystals

Advanced Functional Materials, EarlyView.
Complex excitonic landscapes in acene–perfluoroacene cocrystals are unveiled by polarization‐resolved optical spectroscopy and many‐body theory. This systematic study of a prototypical model system for weakly interacting donor–acceptor compounds challenges common views of charge‐transfer excitons, providing a refined conceptual framework for ...
Sebastian Anhäuser, Ana M. Valencia, Sergei I. Ivlev, Marc Zeplichal, Andreas Terfort, Caterina Cocchi, Gregor Witte   +6 more
wiley   +1 more source

N-[(2,4-Dimethylphenyl)carbamothioyl]-2-methylbenzamide

Acta Crystallographica Section E, 2008
The title compound, C17H18N2OS, adopts a trans–cis geometry of the thiourea group which is stabilized by intramolecular hydrogen bonds between the O atom of the carbonyl group and the H atom of the thioamide group.
R. H. Jusoh, M. S. M. Yusof, S. Yousuf, B. M. Yamin   +3 more
doaj   +1 more source

Pioneering the Future: Principles, Advances, and Challenges in Organic Electrodes for Aqueous Ammonium‐Ion Batteries

Advanced Materials, Volume 37, Issue 13, April 2, 2025.
Leveraging the numerous advantages of ammonium‐ion (NH₄⁺)—including cost‐effectiveness, low corrosiveness, preferential orientation, and rapid diffusion kinetics—aqueous NH₄⁺ batteries (AAIBs) have gained significant attention. This review highlights and evaluates the progress of AAIBs utilizing organic electrode materials such as small molecules ...
Mangmang Shi, Xiaoyan Zhang
wiley   +1 more source

(4Z)-1-[(E)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1H-imidazol-5(4H)-one

IUCrData, 2016
In the title compound, C22H17N3O2S, the imidazole ring forms dihedral angles of 9.2 (2), 10.9 (2) and 12.5 (2)° with the thiophene, phenyl and methoxy-substituted benzene rings, respectively.
Vikram D. Singh, Kamni, K. N. Subbulakshmi, B. Narayana, B. K. Sarojini, Sumati Anthal, Rajni Kant   +6 more
doaj   +1 more source

A theoretical simulation of the resonant Raman spectroscopy of the H2O⋯Cl2 and H2O⋯Br2 halogen-bonded complexes [PDF]

, 2016
The resonant Raman spectra of the H2O⋯Cl2 and H2O⋯Br2 halogen-bonded complexes have been studied in the framework of a 2-dimensional model previously used in the simulation of their UV-visible absorption spectra using time-dependent techniques.
Janda K. C., Jesús Rubayo-Soneira, Kenneth C. Janda, Nadine Halberstadt, Press W. H., Ricardo Franklin-Mergarejo, Tannor D. J., V. Ara Apkarian   +7 more
core   +2 more sources

Unravelling the Atomic Structure of a Metal‐Covalent Organic Framework Assembled from Ruthenium Metalloligands

Advanced Materials, Volume 37, Issue 13, April 2, 2025.
Metal‐covalent organic frameworks (MCOFs) are novel porous materials that exhibit the advantages of covalent and metal‐organic frameworks. However, it is extremely difficult to resolve their atomic structure and better understand their structure‐properties relation. This work utilizes a synergistic combination of advanced microscopy, spectroscopic, and
Seán Hennessey, Roberto González‐Gómez, Nicolás Arisnabarreta, Anna Ciotti, Jing Hou, Nadezda V. Tarakina, Andrey Bezrukov, Kunal S. Mali, Michael Zaworotko, Steven De Feyter, Max García‐Melchor, Pau Farràs   +11 more
wiley   +1 more source

2,2′-(1-Phenyl-1H-pyrazole-3,5-diyl)diphenol

Acta Crystallographica Section E, 2009
The title compound, C21H16N2O2, was derived from 1-(2-hydroxyphenyl)-3-(-methoxyphenyl)propane-1,3-dione. The molecular structure of the title compound is stabilized by an intramolecular O—H...N hydrogen bond.
Michael Bolte, Aurangzeb Hasan, Amir Badshah, Muhammad Zia ul Haq, Sumeera Ikram   +4 more
doaj   +1 more source