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Computational evidence for back donation in an N → O group based on modes of transmission of substituent effects in 3-(4′-substituted) phenylfuroxans
are interpreted as demonstrating graded back donation from O to N within the N → O group at the B3LYP/6-31++G** level have shown that back donation from O<...
Physical chemistry
- 2021 •
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6-(2-bromobenzylamino)purine monohydrate
by intermolecular O-H... O hydrogen bonds into infinite chains along the [001] direction. The water molecules with disordered H atoms also participate in O-H ... O, N-H ... O and O
CC - Organická chemie
- 2006 •
- Jx
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Theoretical Insights into the Nature of Nickel-Carbon Dioxide Interactions in Ni(PH3)2(eta2-CO2)
coordination behavior. Apart from the expected pi-donation interaction the C-O sigma bond takes also part in the electron donation. Moreover, the back-donation is slightly as it transfer...
CF - Fyzikální chemie a teoretická chemie
- 2011 •
- Jx •
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Interplay Between Conformation and Hydrogen Bond Pattern: Crystal Structure of N-(2,2-dichloroacetyl)-N',N"-dipropylphosphoric Triamide and a Database Survey
(C(O)NH)(N)(2)P(O)-based phosphoric triamides retrieved from the Cambridge hydrogen bonds (N-CP is the nitrogen atom of the C(O)NHP(O) fragment and N-P(O). The...
Inorganic and nuclear chemistry
- 2024 •
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Vanadocene complexes of amino acids containing secondary amino group: The first evidence of O,O-bonded carboxylic group to vanadocene(IV) moiety.
containing secondary amino groups gives three types of complexes: a) compounds with N,O-bonded amino acid, b) O-bonded amino acids and c) O,O-bonded amino acid. The complexeswit...
CA - Anorganická chemie
- 2010 •
- Jx
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Tris(methylammonium) hydrogenphosphate dihydrogenphosphate
The title compound, 3CH6N + HPO42- H2PO4- , aggregates with the moieties interconnected by O?H...O and N?H...O hydrogen bonds, with O...O and N...O distances....
BM - Fyzika pevných látek a magnetismus
- 2006 •
- Jx
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Extensive analysis of N-H center dot center dot center dot O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study
The N-H center dot center dot center dot O hydrogen bond is the characteristic)(2)P(O)(O)], (IV). This article focuses on the N-H center dot center dot center dot O hydrogen bonds
Inorganic and nuclear chemistry
- 2017 •
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A combined X-ray crystallography and theoretical study of N-H center dot center dot center dot OX (X is =P and -C) hydrogen bonds in two new structures with a (C-O)(2)(N)-P(=Y) (Y is O and S
molecules are linked through N-H center dot center dot center dot O=P hydrogen bondsThe crystal structures of N,N'-(cyclohexane-1,4-diyl)bis(O,O'-diphenylphosphoramide), C30H32N2O6P2 or ...
Chemical sciences
- 2018 •
- Jimp •
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Two new X P(O)[NHC(CH3)3]2 phosphoramidates, with X = (CH3)2N and [(CH3)3CNH]2P(O)(O)
with occupancies ranging from 1/6 to 5/6. In the structure of (II), the P(O)...(H-N)2 hydrogen), the extended structures are mediated by P(O)... (H-N)2 interactions. The asymmetric unit of (I) consists of...
BM - Fyzika pevných látek a magnetismus
- 2012 •
- Jx •
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The Existence of a N→C Dative Bond in the C60–Piperidine Complex
structural prerequisites for the unique formation of a dative N→C bond. The results bonds, the C⋅⋅⋅N tetrel bond, and lone‐pair⋅⋅⋅π interactions, the unexpected N→C dative/coval...
Physical chemistry
- 2021 •
- Jimp •
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