Log in

Relevant bibliographies by topics / Sn2 mechanism / Journal articles

To see the other types of publications on this topic, follow the link: Sn2 mechanism.

Journal articles on the topic 'Sn2 mechanism'

Author: Grafiati

Published: 4 June 2021

Last updated: 17 February 2022

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the top 50 journal articles for your research on the topic 'Sn2 mechanism.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Browse journal articles on a wide variety of disciplines and organise your bibliography correctly.

1

WAHAB, Olaide, Jide IGE, Grace OGUNLUSI, Lukman OLASUNKANMI, and Kayode SANUSI. "Oxatriquinane Derivatives: A Theoretical Investigation of SN1-SN2 Reactions Borderline." Walailak Journal of Science and Technology (WJST) 15, no. 6 (2016): 439–53. http://dx.doi.org/10.48048/wjst.2018.2476.

Full text

Abstract:

This study investigated the nucleophilic substitution reaction mechanisms of 5 oxatriquinane derivatives, namely: oxatriquinane (OTQ), 1,4,7-trimethyloxatriquinane (TMO), 1,4,7-triethyloxatriquinane (TEO), 1,4,7-tri-iso-propyloxatriquinane (TIO) and 1,4,7-tri-tert-butyloxatriquinane (TTO). In addition to the G3 conformation (one with the substituent groups at 1,4 and 7 positions pointing into the plane of the paper) originally proposed by the previous workers, Mascal et al. in 2008 and Gunbas et al. in 2013, one more geometrical isomer was considered again for each of the derivatives, the 2G1

APA, Harvard, Vancouver, ISO, and other styles

2

Renzi, Gabriele, Antonietta Lombardozzi, Emanuela Dezi, Adriano Pizzabiocca, and Maurizio Speranza. "Gas-Phase Acid-Induced SN2′ versus SN2 Mechanism in Allylic Alcohols." Chemistry - A European Journal 2, no. 3 (1996): 316–22. http://dx.doi.org/10.1002/chem.19960020313.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

Nakanishi, Takeo, Ramesh Kekuda, You-Jun Fei, et al. "Cloning and functional characterization of a new subtype of the amino acid transport system N." American Journal of Physiology-Cell Physiology 281, no. 6 (2001): C1757—C1768. http://dx.doi.org/10.1152/ajpcell.2001.281.6.c1757.

Full text

Abstract:

We have cloned a new subtype of the amino acid transport system N2 (SN2 or second subtype of system N) from rat brain. Rat SN2 consists of 471 amino acids and belongs to the recently identified glutamine transporter gene family that consists of system N and system A. Rat SN2 exhibits 63% identity with rat SN1. It also shows considerable sequence identity (50–56%) with the members of the amino acid transporter A subfamily. In the rat, SN2 mRNA is most abundant in the liver but is detectable in the brain, lung, stomach, kidney, testis, and spleen. When expressed in Xenopus laevis oocytes and in

APA, Harvard, Vancouver, ISO, and other styles

4

Tachikawa, Hiroto. "SN2 and SN2′ reaction dynamics of cyclopropenyl chloride with halide ion A direct ab initio molecular dynamics (MD) study." Canadian Journal of Chemistry 83, no. 9 (2005): 1597–605. http://dx.doi.org/10.1139/v05-176.

Full text

Abstract:

Direct ab initio molecular dynamics (MD) calculations have been carried out for the reaction of cyclopropenyl chloride with halide ion (F) (F + (CH)3Cl → F(CH)3 + Cl) in gas phase. Both SN2 and SN2′ channels were found as product channels. These channels are strongly dependent on the collision angle of F to the target (CH)3Cl molecule. The collision at one of the carbon atoms of the C=C double bond leads to the SN2′ reaction channel; whereas the collision at the methylene carbon atom leads to the SN2 reaction channel. The reactions proceed via a direct mechanism without long-lived complexe

APA, Harvard, Vancouver, ISO, and other styles

5

Anderson, Martin M. "Two working models for the SN2 mechanism." Journal of Chemical Education 64, no. 12 (1987): 1023. http://dx.doi.org/10.1021/ed064p1023.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Mora, José, Cristian Cervantes, and Edgar Marquez. "New Insight into the Chloroacetanilide Herbicide Degradation Mechanism through a Nucleophilic Attack of Hydrogen Sulfide." International Journal of Molecular Sciences 19, no. 10 (2018): 2864. http://dx.doi.org/10.3390/ijms19102864.

Full text

Abstract:

The nucleophilic attack of hydrogen sulfide (HS−) on six different chloroacetanilide herbicides was evaluated theoretically using the dispersion-corrected hybrid functional wB97XD and the 6-311++G(2d,2p) Pople basis sets. The six evaluated substrates were propachlor (A), alachlor (B), metolachlor (C), tioacetanilide (D), β-anilide (E), and methylene (F). Three possible mechanisms were considered: (a) bimolecular nucleophilic substitution (SN2) reaction mechanism, (b) oxygen assistance, and (c) nitrogen assistance. Mechanisms based on O- and N-assistance were discarded due to a very high activa

APA, Harvard, Vancouver, ISO, and other styles

7

Chen, Jun, and Shulin Yang. "Catalytic mechanism of UDP-glucose dehydrogenase." Biochemical Society Transactions 47, no. 3 (2019): 945–55. http://dx.doi.org/10.1042/bst20190257.

Full text

Abstract:

AbstractUDP-glucose dehydrogenase (UGDH), an oxidoreductase, catalyzes the NAD+-dependent four-electron oxidation of UDP-glucose to UDP-glucuronic acid. The catalytic mechanism of UGDH remains controversial despite extensive investigation and is classified into two types according to whether an aldehyde intermediate is generated in the first oxidation step. The first type, which involves the presence of this putative aldehyde, is inconsistent with some experimental findings. In contrast, the second type, which indicates that the first oxidation step bypasses the aldehyde via an NAD+-dependent

APA, Harvard, Vancouver, ISO, and other styles

8

Roy, Chandra D. "Regioselective Conversion of Unsymmetrical Terminal Epoxides into Vicinal Chlorohydrins Using Dimethoxyboron Chloride." Australian Journal of Chemistry 59, no. 11 (2006): 834. http://dx.doi.org/10.1071/ch06315.

Full text

Abstract:

A highly regioselective synthesis of chlorohydrins by chlorinative cleavage of unsymmetrical epoxides utilizing dimethoxyboron chloride is described. Except for styrene oxide, all the terminal epoxides were regioselectively cleaved following a predominantly SN2-type reaction pathway favouring the formation of primary chlorides. In the case of styrene oxide, a benzylic epoxide, (MeO)2BCl transfers the chlorine at the benzylic position, by following an apparent SN1-type mechanism.

APA, Harvard, Vancouver, ISO, and other styles

9

Scott, John MW, and Danny Summers. "On the relationship between the rate constants for racemization and isotopic exchange." Canadian Journal of Chemistry 76, no. 6 (1998): 643–48. http://dx.doi.org/10.1139/v97-224.

Full text

Abstract:

The relationship between the rate constants that describe the halide ion catalysis of the racemization (kr) of optically alkyl halides and the related isotopic halide exchange reaction (ke) is shown to be valid in two distinct cases. The first is when the racemization and exchange mechanisms follow the classical and conventional SN2 path characterized by a symmetrical trigonal (sp2) transition state. The second envisages the trigonal species characteristic of the SN2 reaction as an intermediate instead of a transition state. The latter mechanism is also shown to be characterized by the relatio

APA, Harvard, Vancouver, ISO, and other styles

10

Kevill, Dennis N., and Malcolm J. D'Souza. "Application of the NT Solvent Nucleophilicity Scale to Attack at Sulfur: Solvolyses of Benzenesulfonyl Chlorides." Collection of Czechoslovak Chemical Communications 64, no. 11 (1999): 1790–96. http://dx.doi.org/10.1135/cccc19991790.

Full text

Abstract:

The specific rates of solvolysis of benzenesulfonyl chloride and three 4-substituted derivatives can be very well correlated using the extended Grunwald-Winstein equation, with incorporation of NT solvent nucleophilicity and YCl solvent ionizing power values. In two instances, it was shown that almost identical correlations were obtained after the incorporation of methyl groups into the 2- and 6-positions of the benzene ring. No evidence was found for a dissociative (SN1) mechanism or for a duality of mechanism. All of the results can be rationalized in terms of a concerted bimolecular displac

APA, Harvard, Vancouver, ISO, and other styles

11

El Moncef, Abdelkarim, El Mestafa El Hadrami, Miguel A. González, Elena Zaballos, and Ramón J. Zaragozá. "Experimental and DFT study of the conversion of ephedrine derivatives into oxazolidinones. Double SN2 mechanism against SN1 mechanism." Tetrahedron 66, no. 27-28 (2010): 5173–84. http://dx.doi.org/10.1016/j.tet.2010.04.097.

Full text

APA, Harvard, Vancouver, ISO, and other styles

12

Michailidou, Freideriki, Tomas Lebl, Alexandra M. Z. Slawin, Sunil Vishnuprasadji Sharma, Murray J. B. Brown, and Rebecca Jane Miriam Goss. "Synthesis and Conformational Analysis of Fluorinated Uridine Analogues Provide Insight into a Neighbouring-Group Participation Mechanism." Molecules 25, no. 23 (2020): 5513. http://dx.doi.org/10.3390/molecules25235513.

Full text

Abstract:

Fluorinated nucleoside analogues have attracted much attention as anticancer and antiviral agents and as probes for enzymatic function. However, the lack of direct synthetic methods, especially for 2′,3′-dideoxy-2′,3′-difluoro nucleosides, hamper their practical utility. In order to design more efficient synthetic methods, a better understanding of the conformation and mechanism of formation of these molecules is important. Herein, we report the synthesis and conformational analysis of a 2′,3′-dideoxy-2′,3′-difluoro and a 2′-deoxy-2′-fluoro uridine derivative and provide an insight into the re

APA, Harvard, Vancouver, ISO, and other styles

13

Bouyacoub, Abdelatif, Yves Jean, and François Volatron. "Hydrolysis of unsubstituted and alkyl-substituted aziridinium cations: selectivity and reaction mechanism (SN1 vs. SN2)." Journal of Molecular Structure: THEOCHEM 371 (November 1996): 51–57. http://dx.doi.org/10.1016/s0166-1280(96)04738-0.

Full text

APA, Harvard, Vancouver, ISO, and other styles

14

Liang, Zhongjie, Ting Shi, Sisheng Ouyang, et al. "Investigation of the Catalytic Mechanism of Sir2 Enzyme with QM/MM Approach: SN1 vs SN2?" Journal of Physical Chemistry B 114, no. 36 (2010): 11927–33. http://dx.doi.org/10.1021/jp1054183.

Full text

APA, Harvard, Vancouver, ISO, and other styles

15

Doucet, Katherine G., Cory C. Pye, and Thomas G. Enright. "An exploratory ab initio study of the SN2 reaction of 1,3,3-trimethyltriazene with halide ions." Canadian Journal of Chemistry 85, no. 11 (2007): 958–63. http://dx.doi.org/10.1139/v07-110.

Full text

Abstract:

Methyltriazene and the O6 oxygen of guanine are believed to undergo a bimolecular nucleophilic substitution (SN2) reaction to form methylguanine, which is proposed to be responsible for the cytotoxic properties of triazene-containing anti-neoplastic agents, such as Dacarbazine. To better understand the proposed mechanism of triazene-containing anti-neoplastic agents, a series of ab initio studies investigating the SN2 reaction between methyltriazenes and halide ions were undertaken. The results of our investigation of the SN2 reaction between 1,3,3-trimethyltriazene and the halide ions are pre

APA, Harvard, Vancouver, ISO, and other styles

16

Joly, Helen Alma, and Kenneth Charles Westaway. "Isotope effects in nucleophilic substitution reactions. V. The mechanism of the decomposition of 1-phenylethyldimethylphenylammonium halides in chloroform." Canadian Journal of Chemistry 64, no. 6 (1986): 1206–14. http://dx.doi.org/10.1139/v86-200.

Full text

Abstract:

Secondary α and β hydrogen–deuterium kinetic isotope effects have been used together to show that the SN reaction between 1-phenylethyldimethylphenylammonium ion and bromide or iodide ion in chloroform occurs by way of an SN2 mechanism within a triple ion in spite of the fact that it reacts faster than the primary substrate, benzyldimethylphenylammonium bromide. The very loose transition state and steric effects in the ground state appear to be responsible for the unusually fast SN2 reactions between 1-phenylethyldimethylphenylammonium ion and halide ions in chloroform.

APA, Harvard, Vancouver, ISO, and other styles

17

Bentley, T. William, Gareth Llewellyn, and J. Anthony McAlister. "SN2 Mechanism for Alcoholysis, Aminolysis, and Hydrolysis of Acetyl Chloride." Journal of Organic Chemistry 61, no. 22 (1996): 7927–32. http://dx.doi.org/10.1021/jo9609844.

Full text

APA, Harvard, Vancouver, ISO, and other styles

18

Song, Xinyu. "Electron-transfer-coupled SN2 reaction mechanism in the gas phase." Computational and Theoretical Chemistry 964, no. 1-3 (2011): 72–76. http://dx.doi.org/10.1016/j.comptc.2010.11.038.

Full text

APA, Harvard, Vancouver, ISO, and other styles

19

Oh, Young-Ho, Wonhyuck Yun, Chul-Hee Kim, et al. "Inter- and Intra-Molecular Organocatalysis of SN2 Fluorination by Crown Ether: Kinetics and Quantum Chemical Analysis." Molecules 26, no. 10 (2021): 2947. http://dx.doi.org/10.3390/molecules26102947.

Full text

Abstract:

We present the intra- and inter-molecular organocatalysis of SN2 fluorination using CsF by crown ether to estimate the efficacy of the promoter and to elucidate the reaction mechanism. The yields of intramolecular SN2 fluorination of the veratrole substrates are measured to be very small (<1% in 12 h) in the absence of crown ether promoters, whereas the SN2 fluorination of the substrate possessing a crown ether unit proceeds to near completion (~99%) in 12 h. We also studied the efficacy of intermolecular rate acceleration by an independent promoter 18-crown-6 for comparison. We find that t

APA, Harvard, Vancouver, ISO, and other styles

20

Bell, Natalie V., W. Russell Bowman, Paul F. Coe, Andrew T. Turner, and Del Whybrow. "Synthesis of thyroxine: biomimetic studies." Canadian Journal of Chemistry 75, no. 6 (1997): 873–83. http://dx.doi.org/10.1139/v97-105.

Full text

Abstract:

The biomimetic oxidative coupling of the ethyl ester of N-acetyl-3,5-diiodotyrosine (1) to yield the ethyl ester of N-acetylthyroxine (2) has been investigated. A putative mechanism involving phenolic coupling to yield an intermediate aryloxydienone (7) followed by an E2 elimination for loss of the side chain has been proposed. Oxidative couplings with analogous 4-substituted 3,5-diiodophenols indicate that a number of mechanisms are possible; these include quinone methide intermediates and SN2 substitutions in the intermediate aryloxydienones. Rearomatization of the intermediate aryloxydienon

APA, Harvard, Vancouver, ISO, and other styles

21

Gualandi, Andrea, Luca Mengozzi, and Pier Cozzi. "Stereoselective SN1-Type Reaction of Enols and Enolates." Synthesis 49, no. 15 (2017): 3433–43. http://dx.doi.org/10.1055/s-0036-1588871.

Full text

Abstract:

Stereoselective alkylation of enolates represents a valuable and important procedure for accessing carbon–carbon-bond frameworks in natural and nonnatural product synthesis. Usually, activated electrophilic partners that react through an SN2 mechanism are employed. To overcome the limitations due to reduced reactivity and steric hindrance, SN1-type reactions can be considered a valid and practical alternative. Accessible enolates can be used in stereoselective (diastereo- or enantioselective) reactions with electrophilic carbenium ions, either used as stable reagents or generated in situ from

APA, Harvard, Vancouver, ISO, and other styles

22

Hemer, Ivan, Věra Moravcová, and Václav Dědek. "Reaction of 1,4-dibromohexafluoro-2-butene with O- and N-nucleophiles." Collection of Czechoslovak Chemical Communications 53, no. 3 (1988): 619–25. http://dx.doi.org/10.1135/cccc19880619.

Full text

Abstract:

Reaction of 1,4-dibromohexafluoro-2-butene (I) with sodium methoxide, ethoxide or isopropoxide in the corresponding alcohols proceeds with allylic rearrangement under formation of 3-alkoxy-4-bromohexafluoro-1-butenes II-IV. A kinetic study has proven the SN2’ mechanism for reaction of I with potassium phenoxide leading to 4-bromo-3-phenoxyhexafluoro-1-butene (V). Also the reaction of I with ammonia, affording 3-amino-4-bromo-2,4,4-trifluoro-2-butenenitrile (IX), is compatible with the allylic rearrangement by SN2’ mechanism. On the contrary, reaction of I with diethylamine gave no rearrangemen

APA, Harvard, Vancouver, ISO, and other styles

23

Pagni, Richard M. "Do the solvolysis reactions of secondary substrates occur by the SN1 or SN2 mechanism: or something else?" Foundations of Chemistry 13, no. 2 (2011): 131–43. http://dx.doi.org/10.1007/s10698-011-9111-3.

Full text

APA, Harvard, Vancouver, ISO, and other styles

24

Hill, Beth Ann, Thomas A. Newton, and John Olson. "Using Conductivity Devices in Nonaqueous Solutions II: Demonstrating the SN2 Mechanism." Journal of Chemical Education 81, no. 1 (2004): 61. http://dx.doi.org/10.1021/ed081p61.

Full text

APA, Harvard, Vancouver, ISO, and other styles

25

CHAR, Shobha, and Karumathil P. GOPINATHAN. "Arginyl-tRNA Synthetase from Mycobacterium smegmatis SN2: Purification and Kinetic Mechanism." Journal of Biochemistry 100, no. 2 (1986): 349–57. http://dx.doi.org/10.1093/oxfordjournals.jbchem.a121721.

Full text

APA, Harvard, Vancouver, ISO, and other styles

26

Komissarov, A. A., O. K. Moltchan, D. V. Romanova, and V. G. Debabov. "Enzyme-catalyzed uridine phosphorolysis: SN2 mechanism with phosphate activation by desolvation." FEBS Letters 355, no. 2 (1994): 192–94. http://dx.doi.org/10.1016/0014-5793(94)01204-0.

Full text

APA, Harvard, Vancouver, ISO, and other styles

27

Villani, Vincenzo, and Gaetano Giammarino. "SN2-Like Mechanism for the Ziegler−Natta Syndiospecific Catalysis atab InitioLevel." Macromolecules 43, no. 14 (2010): 5917–18. http://dx.doi.org/10.1021/ma100774h.

Full text

APA, Harvard, Vancouver, ISO, and other styles

28

Agafonova, Anastasiya V., Nikolai V. Rostovskii, Ilia A. Smetanin, Galina L. Starova, Alexander F. Khlebnikov, and Mikhail S. Novikov. "Synthesis of 2-(Di/tri/tetraazolyl)-2H-azirine-2-carboxylates by Halogen Substitution: Evidence for an SN2′-SN2′ Cascade Mechanism." Journal of Organic Chemistry 83, no. 21 (2018): 13473–80. http://dx.doi.org/10.1021/acs.joc.8b02295.

Full text

APA, Harvard, Vancouver, ISO, and other styles

29

Hennig, Carsten, and Stefan Schmatz. "Mechanisms of SN2 reactions: insights from a nearside/farside analysis." Physical Chemistry Chemical Physics 17, no. 40 (2015): 26670–76. http://dx.doi.org/10.1039/c5cp04312c.

Full text

APA, Harvard, Vancouver, ISO, and other styles

30

Zhu, Lihan, Hui Yang та Ming Wah Wong. "Asymmetric Nucleophilic Allylation of α-Chloro Glycinate via Squaramide Anion-Abstraction Catalysis: SN1 or SN2 Mechanism, or Both?" Journal of Organic Chemistry 86, № 12 (2021): 8414–24. http://dx.doi.org/10.1021/acs.joc.1c00839.

Full text

APA, Harvard, Vancouver, ISO, and other styles

31

Pratihar, Subha, Maria Carolina Nicola Barbosa Muniz, Xinyou Ma, Itamar Borges, and William L. Hase. "Pronounced changes in atomistic mechanisms for the Cl− + CH3I SN2 reaction with increasing collision energy." Physical Chemistry Chemical Physics 21, no. 4 (2019): 2039–45. http://dx.doi.org/10.1039/c8cp06198j.

Full text

Abstract:

A sudden change from indirect to direct mechanism for Cl<sup>−</sup> + CH<sub>3</sub>I at E<sub>rel</sub> of 0.27–0.28 eV in a relatively small collision energy range of 0.15–0.40 eV is revealed and many indirect mechanisms are identified.

APA, Harvard, Vancouver, ISO, and other styles

32

Wujec, Monika, Agata Siwek, Joanna Dzierzawska, Michal Rostkowski, Rafal Kaminski, and Piotr Paneth. "Influence of the Solvent Description on the Predicted Mechanism of SN2 Reactions." Journal of Physical Chemistry B 112, no. 39 (2008): 12414–19. http://dx.doi.org/10.1021/jp8035956.

Full text

APA, Harvard, Vancouver, ISO, and other styles

33

Li, Yan, Yongfang Li, and Dunyou Wang. "The importance of the composite mechanisms with two transition states in the F− + NH2I SN2 reaction." Physical Chemistry Chemical Physics 22, no. 23 (2020): 12929–38. http://dx.doi.org/10.1039/d0cp01942a.

Full text

APA, Harvard, Vancouver, ISO, and other styles

34

Wolfe, Saul, Chan-Kyung Kim, Kiyull Yang, Noham Weinberg, and Zheng Shi. "Transverse compression and the secondary H/D isotope effects in intramolecular SN2 methyl-transfer reactions." Canadian Journal of Chemistry 76, no. 1 (1998): 102–13. http://dx.doi.org/10.1139/v97-215.

Full text

Abstract:

Using ab initio molecular orbital theory mainly at the 3-21 + G level, intramolecular SN2 methyl transfer between two oxygens confined within a rigid template is found to proceed exclusively by a high energy retention mechanism when the oxygens are separated by three or four bonds, and by a high energy inversion mechanism when the oxygens are separated by six bonds. Both mechanisms exist when the oxygens are separated by five bonds. The CH3/CD3 kinetic isotope effects are normal (1.21-1.34) in the retention processes and inverse (0.66-0.81) in the inversion reactions. In the case of inversion,

APA, Harvard, Vancouver, ISO, and other styles

35

Wolfe, Saul, Chan-Kyung Kim, Kiyull Yang, Noham Weinberg, and Zheng Shi. "Additions and corrections: Transverse compression and the secondary H/D isotope effects in intramolecular SN2 methyl-transfer reactions." Canadian Journal of Chemistry 76, no. 3 (1998): 359–70. http://dx.doi.org/10.1139/v98-090.

Full text

Abstract:

Using ab initio molecular orbital theory mainly at the 3-21+G level, intramolecular SN2 methyl transfer between two oxygens confined within a rigid template is found to proceed exclusively by a high energy retention mechanism when the oxygens are separated by three or four bonds, and by a high energy inversion mechanism when the oxygens are separated by six bonds. Both mechanisms exist when the oxygens are separated by five bonds. The CH3/CD3 kinetic isotope effects are normal (1.21-1.34) in the retention processes and inverse (0.66-0.81) in the inversion reactions. In the case of inversion, c

APA, Harvard, Vancouver, ISO, and other styles

36

Suggs, Kelvin, and Alfred Z. Msezane. "Doubly-Charged Negative Ions as Novel Tunable Catalysts: Graphene and Fullerene Molecules Versus Atomic Metals." International Journal of Molecular Sciences 21, no. 18 (2020): 6714. http://dx.doi.org/10.3390/ijms21186714.

Full text

Abstract:

The fundamental mechanism underlying negative-ion catalysis involves bond-strength breaking in the transition state (TS). Doubly-charged atomic/molecular anions are proposed as novel dynamic tunable catalysts, as demonstrated in water oxidation into peroxide. Density Functional Theory TS calculations have found a tunable energy activation barrier reduction ranging from 0.030 eV to 2.070 eV, with Si2−, Pu2−, Pa2− and Sn2− being the best catalysts; the radioactive elements usher in new application opportunities. C602− significantly reduces the standard C60− TS energy barrier, while graphene incr

APA, Harvard, Vancouver, ISO, and other styles

37

Ghosh, Arghya Pratim, Piotr Lodowski, Aleksandra Chmielowska, Maria Jaworska, and Pawel M. Kozlowski. "Elucidating the mechanism of cob(I)alamin mediated methylation reactions by alkyl halides: SN2 or radical mechanism?" Journal of Catalysis 376 (August 2019): 32–43. http://dx.doi.org/10.1016/j.jcat.2019.06.036.

Full text

APA, Harvard, Vancouver, ISO, and other styles

38

Pagni, Richard M. "ChemInform Abstract: Do the Solvolysis Reactions of Secondary Substrates Occur by the SN1 or SN2 Mechanism: Or Something Else?" ChemInform 43, no. 13 (2012): no. http://dx.doi.org/10.1002/chin.201213225.

Full text

APA, Harvard, Vancouver, ISO, and other styles

39

Vande Linde, Scott R., and William L. Hase. "A direct mechanism for SN2 nucleophilic substitution enhanced by mode-selective vibrational excitation." Journal of the American Chemical Society 111, no. 6 (1989): 2349–51. http://dx.doi.org/10.1021/ja00188a086.

Full text

APA, Harvard, Vancouver, ISO, and other styles

40

Paula, Bruno R. S., Davila Zampieri, J. Augusto R. Rodrigues та Paulo J. S. Moran. "Bioreduction of α-Acetoxymethyl Enones: Proposal for an SN2′ Mechanism Catalyzed by Enereductase". Advanced Synthesis & Catalysis 358, № 22 (2016): 3555–71. http://dx.doi.org/10.1002/adsc.201600601.

Full text

APA, Harvard, Vancouver, ISO, and other styles

41

DINNOCENZO, J. P., T. R. SIMPSON, H. ZUILHOF, W. P. TODD, and T. HEINRICH. "ChemInform Abstract: Three-Electron SN2 Reactions of Arylcyclopropane Cation Radicals. Part 1. Mechanism." ChemInform 28, no. 19 (2010): no. http://dx.doi.org/10.1002/chin.199719082.

Full text

APA, Harvard, Vancouver, ISO, and other styles

42

Ortuño, Manuel A., Nasarella A. Jasim, Adrian C. Whitwood, Agustí Lledós, and Robin N. Perutz. "Platinum(0)-mediated C–O bond activation of ethers via an SN2 mechanism." Dalton Transactions 45, no. 47 (2016): 18842–50. http://dx.doi.org/10.1039/c6dt03241a.

Full text

Abstract:

DFT calculations demonstrate that Pt(0) bis(phosphine) complexes react with Ar<sup>F</sup>–O–Me via an S<sub>N</sub>2 mechanism to activate the O–CH<sub>3</sub> bond; experimental support is provided by reaction of Pt(PCy<sub>3</sub>)<sub>2</sub> with 2,3,5,6-tetrafluoro-4-allyloxypyridine to form an aryloxide salt of [Pt(η<sup>3</sup>-allyl)(PCy<sub>3</sub>)<sub>2</sub>]<sup>+</sup>.

APA, Harvard, Vancouver, ISO, and other styles

43

Sun, Jianzhi, Jiankang Wen, Biao Wu, and Bowei Chen. "Mechanism for the Bio-Oxidation and Decomposition of Pentlandite: Implication for Nickel Bioleaching at Elevated pH." Minerals 10, no. 3 (2020): 289. http://dx.doi.org/10.3390/min10030289.

Full text

Abstract:

This work investigated the effects of Fe3+, H+ and adsorbed leaching bacteria on the bioleaching of pentlandite. Collectively, an integrated model for the oxidation and decomposition of pentlandite was built to describe the behaviors of different components in a bioleaching system. Proton ions and ferric ions could promote the break and oxidation of Ni-S and Fe-S bonds. The iron-oxidizing microorganisms could regenerate ferric ions and maintain a high Eh value. The sulfur-oxidizing microorganisms showed significant importance in the oxidation of polysulfide and elemental sulfur. The atoms in p

APA, Harvard, Vancouver, ISO, and other styles

44

Roy, Chandra D. "Regiocontrolled Opening of 2-Methyltetrahydrofuran with Various Boron Reagents." Australian Journal of Chemistry 59, no. 9 (2006): 657. http://dx.doi.org/10.1071/ch06272.

Full text

Abstract:

Regiocontrolled halogenative cleavage of 2-methyltetrahydrofuran with various B-bromoboranes, by a predominantly SN2-type mechanism favouring the formation of primary bromide, is described. A comparative study of the relative reactivities of BH2Br·SMe2, BHBr2·SMe2, BBr3, (MeO)2BBr, and MeOBBr2 revealed that the newly synthesized (MeO)2BBr is a highly promising regioselective reagent, especially at lower temperatures.

APA, Harvard, Vancouver, ISO, and other styles

45

Papp, Dóra, and Gábor Czakó. "Facilitated inversion complicates the stereodynamics of an SN2 reaction at nitrogen center." Chemical Science 12, no. 15 (2021): 5410–18. http://dx.doi.org/10.1039/d1sc00490e.

Full text

APA, Harvard, Vancouver, ISO, and other styles

46

Capurso, Matías, Rodrigo Gette, Gabriel Radivoy, and Viviana Dorn. "The Sn2 Reaction: A Theoretical-Computational Analysis of a Simple and Very Interesting Mechanism." Proceedings 41, no. 1 (2019): 81. http://dx.doi.org/10.3390/ecsoc-23-06514.

Full text

Abstract:

Bimolecular nucleophilic substitution (SN2) reaction is one of the most frequently processes chosen as model mechanism to introduce undergraduate chemistry students to computational chemistry methodology. In this work, we performed a computational analysis for the ionic SN2 reaction, where the nucleophile charged (X−; X=F, Cl, Br, I) attacks the carbon atom of the substrate (CH3Cl) through a backside pathway, and simultaneously, the leaving group is displaced (Cl−). The calculations were performed applying DFT methods with the Gaussian09 program, the B3LYP functional, the 6-31+G* basis set for

APA, Harvard, Vancouver, ISO, and other styles

47

Nepal, Niraj, Subha Arthur, Molly R. Butts, Soudamani Singh, Balasubramanian Palaniappan, and Uma Sundaram. "Molecular Mechanism of Stimulation of Na-K-ATPase by Leukotriene D4 in Intestinal Epithelial Cells." International Journal of Molecular Sciences 22, no. 14 (2021): 7569. http://dx.doi.org/10.3390/ijms22147569.

Full text

Abstract:

Na-K-ATPase provides a favorable transcellular Na gradient required for the functioning of Na-dependent nutrient transporters in intestinal epithelial cells. The primary metabolite for enterocytes is glutamine, which is absorbed via Na-glutamine co-transporter (SN2; SLC38A5) in intestinal crypt cells. SN2 activity is stimulated during chronic intestinal inflammation, at least in part, secondarily to the stimulation of Na-K-ATPase activity. Leukotriene D4 (LTD4) is known to be elevated in the mucosa during chronic enteritis, but the way in which it may regulate Na-K-ATPase is not known. In an i

APA, Harvard, Vancouver, ISO, and other styles

48

da Silva, Jorge Alberto Valle, Ander Francisco Pereira, Steven R. LaPlante, Kamil Kuca, Teodorico Castro Ramalho, and Tanos Celmar Costa França. "Reactivation of VX-Inhibited Human Acetylcholinesterase by Deprotonated Pralidoxime. A Complementary Quantum Mechanical Study." Biomolecules 10, no. 2 (2020): 192. http://dx.doi.org/10.3390/biom10020192.

Full text

Abstract:

In the present work, we performed a complementary quantum mechanical (QM) study to describe the mechanism by which deprotonated pralidoxime (2-PAM) could reactivate human (Homo sapiens sapiens) acetylcholinesterase (HssAChE) inhibited by the nerve agent VX. Such a reaction is proposed to occur in subsequent addition–elimination steps, starting with a nucleophile bimolecular substitution (SN2) mechanism through the formation of a trigonal bipyramidal transition state (TS). A near attack conformation (NAC), obtained in a former study using molecular mechanics (MM) calculations, was taken as a st

APA, Harvard, Vancouver, ISO, and other styles

49

Liu, Peng, Dunyou Wang, and Yulong Xu. "A new, double-inversion mechanism of the F− + CH3Cl SN2 reaction in aqueous solution." Physical Chemistry Chemical Physics 18, no. 46 (2016): 31895–903. http://dx.doi.org/10.1039/c6cp06195h.

Full text

APA, Harvard, Vancouver, ISO, and other styles

50

Gurnani, Chitra, Nemanja Đorđević, Senthilkumar Muthaiah, et al. "Extending the chemistry of carbones: P–N bond cleavage via an SN2′-like mechanism." Chemical Communications 51, no. 53 (2015): 10762–64. http://dx.doi.org/10.1039/c5cc03194j.

Full text

APA, Harvard, Vancouver, ISO, and other styles

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!