Results 71 to 80 of about 67,257 (300)

Trimethylsilyl Substituent Effects on the Triazolium-catalysed Benzoin Condensation [PDF]

open access: yes, 2021
In the benzoin condensation catalysed by N-heterocyclic carbenes (NHCs) there exists a unique 2-substituent effect. 2-Substituted aldehydes with 2-Lewis basic substituents will preferentially take part in the first addition step of NHC to aldehyde ...
MACRAE, HECTOR,IAN
core  

Step‐Edge Functionalization by N‐Heterocyclic Carbenes Enhances Catalytic Activity in Electrochemical CO2 Reduction

open access: yesAdvanced Materials, EarlyView.
Atomically precise functionalization by N‐heterocyclic carbenes enhances the catalytic efficiency of macroscopically defined step edges toward electrochemical CO2${\rm CO}_2$ reduction. Sub‐molecular imaging reveals conformational differences between specific NHCs, which can be correlated with their catalytic performance. Photoelectron spectroscopy and
Philipp Wiesener   +9 more
wiley   +1 more source

Structural Analysis of 3,5-Bistrifluoromethylhydrocinnamic Acid

open access: yesCrystals
The crystal structure of 3,5-bistrifluoromethylhydrocinnamic acid [systematic name: 3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid], C11H8F6O2, has been determined and described.
Piotr F. J. Lipiński, Krzysztof Łyczko
doaj   +1 more source

New description of the substituent effect on electronic spectra by means of substituent constants

open access: yesJournal of Molecular Structure: THEOCHEM, 1991
著者らは近年,電子スペクトルに対する置換基効果を置換基定数で記述する新しい方法を研究してきた。電子スペクトルで測定される一重項あるいは三重項遷移エネルギー(1.3Euv)は, Swain らの FR 置換基定数あるいは湯川らの置換基定数 (σi ,σπ+,σπ-)を用いて, 1.3EUV=aF+bR+C, 1,3EUV=ασi+βσπ++γσπ-+Cと記述された。そして,これらは共役系の n-π* 吸収帯を初め,共役系および脂肪族系の n-π* 吸収帯,分子内電荷移動吸収帯,分子化合物の分子間電荷移動吸収帯およびそれら錯体形成による成分化合物自身の吸収帯などに対する置換基効果に適用できる一般式であることを明らかにした。さらに,ベンゼン置換体の吸収帯を用いて,これらの式の適用限界を議論した ...
Bunji UNO, Tanekazu KUBOTA
openaire   +2 more sources

New quantum chemical parameter for the substituent effect in benzene based on charge flux

open access: yes, 2018
Charge distributions determining the electrostatic potential in monosubstituted benzenes are investigated. As a result, a new quantum chemical parameter for substituent effect, which would be useful in information coding (in terms of molecular ...
Lee, JY, Mhin, BJ, Kim, KS
core   +1 more source

Steric Coordination Modulated Iodine Chemistry With Four‐Electron Conversion for Zinc‐Iodine Batteries

open access: yesAdvanced Materials, EarlyView.
A dual‐additive electrolyte strategy is developed to address the hydrolysis of I+ in the aqueous electrolytes. The steric‐hindrance effect of TES− effectively shields I+ from nucleophilic attacks by hydroxyl groups, facilitating the reversible I−/I0/I+ conversion with four‐electron transfer.
Shuai Wang   +8 more
wiley   +1 more source

Effect of Substituent on Ionisation of Saturated Fatty Acids

open access: yes, 1964
The length of tho carbon chain of a fatty acid molecule has been found to have little effect on the ioniea­tion of the unsubstituted acid. Decided changes in pK values are observed when a substituent is introduced into the moleclue.
S. C. Rakshit and S. Guha
core   +1 more source

Light Switchable Ionic Conductivity of Arylazopyrazole Modified Polysiloxanes

open access: yesAdvanced Materials Technologies, EarlyView.
We present a polysiloxane functionalized with a novel arylazopyrazole dye that undergoes reversible photoisomerization. Upon lithium bis(trifluoromethanesulfonyl)imide addition and UV irradiation, the polymer exhibits a shift in tan(d) toward higher frequencies and enhanced ionic conductivity.
Malte S. Beccard   +7 more
wiley   +1 more source

Quantum Chemical Design Guidelines for Absorption and Emission Color Tuning of fac-Ir(ppy)3 Complexes

open access: yesMolecules, 2018
The fac-Ir(ppy)3 complex, where ppy denotes 2-phenylpyridine, is one of the well-known luminescent metal complexes having a high quantum yield. However, there have been no specific molecular design guidelines for color tuning.
Yoshiki Natori   +6 more
doaj   +1 more source

Influência de efeitos estéricos na hidrólise ácida de o-alquil acetais do benzaldeído [PDF]

open access: yes, 2003
Tese (doutorado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas. Programa de Pós-Graduação em Química.Investigação de efeitos estéricos sobre o centro reacional na hidrólise ácida de O-alquil acetais do benzaldeído ...
Belarmino, Alexanders Tadeu das Neves
core  

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