Results 11 to 20 of about 2,066,464 (240)

Hypervalent molecules sulfurane (SH4) and persulfurane (SH6) [PDF]

Journal of the American Chemical Society, 1975
Gretchen M. Schwenzer, Henry F. Schaefer
openalex   +2 more sources

Medicinal Hypervalent Tellurium Prodrugs Bearing Different Ligands: A Comparative Study of the Chemical Profiles of AS101 and Its Halido Replaced Analogues

International Journal of Molecular Sciences, 2022
Ammonium trichloro (dioxoethylene-O,O′) tellurate (AS101) is a potent immunomodulator prodrug that, in recent years, entered various clinical trials and was tested for a variety of potential therapeutic applications.
Lorenzo Chiaverini, Damiano Cirri, Iogann Tolbatov, F. Corsi, I. Piano, A. Marrone, A. Pratesi, T. Marzo, D. La Mendola   +8 more
semanticscholar   +1 more source

Charge-Shift Bonding in Xenon Hydrides: An NBO/NRT Investigation on HXeY···HX (Y = Cl, Br, I; X = OH, Cl, Br, I, CCH, CN) via H-Xe Blue-Shift Phenomena

Frontiers in Chemistry, 2020
Noble-gas bonding represents curiosity. Some xenon hydrides, such as HXeY (Y = Cl, Br, I) and their hydrogen-bonded complexes HXeY···HX (Y = Cl, Br, I; X = OH, Cl, Br, I, CN, CCH), have been identified in matrixes by observing H-Xe frequencies or its ...
Guiqiu Zhang, Yue Su, Xiaoran Zou, Lei Fu, Junjie Song, Dezhan Chen, Chuanzhi Sun   +6 more
doaj   +1 more source

2,2′-(Disulfanediyl)dibenzoic acid N,N-dimethylformamide monosolvate: crystal structure, Hirshfeld surface analysis and computational study

Acta Crystallographica Section E: Crystallographic Communications, 2020
The title 1:1 solvate, C14H10O4S2·C3H7NO, features a twisted molecule of 2,2′-dithiodibenzoic acid (DTBA), with the central C—S—S—C torsion angle being −88.57 (6)°, and a molecule of dimethylformamide (DMF).
Sang Loon Tan, Edward R. T. Tiekink
doaj   +1 more source

The atomic orbitals of the topological atom [PDF]

, 2013
The effective atomic orbitals have been realized in the framework of Bader’s atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic ...
Bader R. F. W., Eloy Ramos-Cordoba, István Mayer, Karadakov P., Pedro Salvador   +4 more
core   +4 more sources

Metal-free syn-dioxygenation of alkenes [PDF]

, 2013
Reactions employing inexpensive reagents from sustainable sources and with low toxicity are becoming increasingly desirable from an academic and industrial perspective.
Ashikari, Bataille, Buddrus, Buddrus, Criegee, D'Alfonso, Dohi, Emmanuvel, Fujita, Fujita, Fujita, Fujita, Greene, Greene, Greene, Greene, Greene, Greene, Griffith, Hirt, Hirt, Javaid, Javaid, Jones, Kang, Kim, Kim, Kolb, Koyama, Kuepper, Liang, Michael J. Rawling, Mudiganti, Nguyen, Nicholas C. O. Tomkinson, Picon, Prevost, Prevost, Prevost, Rani, Rebrovic, Richardson, Santi, Santi, Santoro, Schwarz, Shu, Silva, Jr., Sonoda, Tadokoro, VanRheenen, Wirth, Wirth, Woodward, Yuan, Yusubov, Zhdankin, Zhong, Zhong, Zhu, Çelik   +60 more
core   +1 more source

4-Amino-N-(2,3-dihydro-1,3-thiazol-2-ylidene)benzenesulfonamide–2,4,6-tris(pyridin-2-yl)-1,3,5-triazine (1/1)

Acta Crystallographica Section E, 2014
The sulfathiazole molecule in the title 1:1 co-crystal, C9H9N3O2S2·C18H12N6, adopts an approximate L-shape [dihedral angle between the five- and six-membered rings = 86.20 (9)°] and features an intramolecular hypervalent S...O interaction [2.8666 (15) Å].
Hadi D. Arman, Trupta Kaulgud, Edward R. T. Tiekink   +2 more
doaj   +1 more source

An iodabenzene story [PDF]

, 2017
We call iodabenzene a cyclic (CH)5I molecule. A planar iodabenzene would have 8 π electrons, a situation best avoided by an out-of-plane distortion to a bird-like geometry.
Chakkingal Parambil, Priyakumari, Hoffmann, Roald, Rawashdeh, Abdel Monem, Zeng, Tao   +3 more
core   +1 more source

A Continuum from Halogen Bonds to Covalent Bonds: Where Do λ³ Iodanes Fit?

Inorganics, 2019
The intrinsic bonding nature of λ 3 -iodanes was investigated to determine where its hypervalent bonds fit along the spectrum between halogen bonding and covalent bonding.
Seth Yannacone, Vytor Oliveira, Niraj Verma, Elfi Kraka   +3 more
doaj   +1 more source

A quantitative definition of hypervalency [PDF]

, 2015
From the inception of Lewis’ theory of chemical bonding, hypervalency has remained a point of difficulty that has not been fully resolved by the currently accepted qualitative definition of this term.
Durrant, Marcus
core   +1 more source