NDLI: Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies

Please wait, while we are loading the content...

Unravelling the early photochemical behavior of (8-substituted-7-hydroxyquinolinyl)methyl acetates through electronic structure theory and ultrafast transient absorption spectroscopy

Effect of doping and chemical ordering on the optoelectronic properties of complex oxides: Fe₂O₃–V₂O₃ solid solutions and hetero-structures

Interfacial gas nanobubbles or oil nanodroplets?

Control and formation mechanism of extended nanochannel geometry in colloidal mesoporous silica particles

Basis set convergence of the binding energies of strongly hydrogen-bonded atmospheric clusters

An absorption mechanism and polarity-induced viscosity model for CO₂ capture using hydroxypyridine-based ionic liquids

Ternary solvent for CH₃NH₃PbI₃ perovskite films with uniform domain size

Seeing the invisible plasma with transient phonons in cuprous oxide

Effect of Co co-doping on the optical properties of ZnTe:Mn nanocrystals

BN-schwarzite: novel boron nitride spongy crystals

Hydrogen divacancy diffusion: a new perspective on H migration in MgH₂ materials for energy storage

Chiral organocatalysts based on lipopeptide micelles for aldol reactions in water

“Energy Relay Center” for doped mechanoluminescence materials: a case study on Cu-doped and Mn-doped CaZnOS

Water-tunable solvatochromic and nanoaggregate fluorescence: dual colour visualisation and quantification of trace water in tetrahydrofuran

Luminophores of tunable colors from ternary Ag–In–S and quaternary Ag–In–Zn–S nanocrystals covering the visible to near-infrared spectral range

Electronic properties of layered phosphorus heterostructures

Interfacial assembly structures and nanotribological properties of saccharic acids

Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay

Energetics and structural characterization of the “DFG-flip” conformational transition of B-RAF kinase: a SITS molecular dynamics study

Observation of partial reduction of manganese in the lithium rich layered oxides, 0.4Li₂MnO₃–0.6LiNi_1/3Co_1/3Mn_1/3O₂, during the first charge

Screening out unfeasible hypothetical zeolite structures via the closest non-adjacent O⋯O pairs

The intrinsic stabilities and structures of alkali metal cationized guanine quadruplexes

On the ionophoric selectivity of nonactin and related macrotetrolide derivatives

Beyond the electrostatic model: the significant roles of orbital interaction and the dispersion effect in aqueous–π systems

Electronic structures and transport properties of a MoS₂–NbS₂ nanoribbon lateral heterostructure

Size-dependent hardness of five-fold twin structured Ag nanowires

A hybrid method using the widely-used WIEN2k and VASP codes to calculate the complete set of XAS/EELS edges in a hundred-atoms system

The role of arsenic in the hydrolysis and DNA metalation processes in an arsenous acid–platinum(ii) anticancer complex

Novel multiferroic state and ME enhancement by breaking the AFM frustration in LuMn_1−xO₃

Spatial quenching of a molecular charge-transfer process in a quantum fluid: the Cs_x–C₆₀ reaction in superfluid helium nanodroplets

Structure and infrared spectra of hydrocarbon interstellar dust analogs

CO₂ capture in ionic liquid 1-alkyl-3-methylimidazolium acetate: a concerted mechanism without carbene

Controlling disorder in the ZnGa₂O₄:Cr³⁺ persistent phosphor by Mg²⁺ substitution

A full dimensional potential for H₂O₂ (X¹A) covering all dissociation channels

Dynamics of a bioinert polymer in hydrated states by dielectric relaxation spectroscopy

Gold–silver@TiO₂ nanocomposite-modified plasmonic photoanodes for higher efficiency dye-sensitized solar cells

The total and the differential mean pore anisotropy in porous solids and the ranking of pores according to Zipf's law

New insight into the structural evolution of PbTiO₃: an unbiased structure search

Partial oxidation of the absorber layer reduces charge carrier recombination in antimony sulfide solar cells

Conformational and entropy analyses of extended molecular dynamics simulations of α-, β- and γ-cyclodextrins and of the β-cyclodextrin/nabumetone complex

Thermodynamic origins of the solvent-dependent stability of lithium polysulfides from first principles

A Ru–Ru pair housed in ruthenium phthalocyanine: the role of a “cage” architecture in the molecule coupling with the Ag(111) surface

Decreasing amyloid toxicity through an increased rate of aggregation

Water aggregation and dissociation on the ZnO(101̄0) surface

Tuning quantum electron and phonon transport in two-dimensional materials by strain engineering: a Green's function based study

Electronic forces as descriptors of nucleophilic and electrophilic regioselectivity and stereoselectivity

Supramolecular assembly of a thermoresponsive steroidal surfactant with an oppositely charged thermoresponsive block copolymer

Solvent effects on the triplet–triplet annihilation upconversion of diiodo-Bodipy and perylene

Surface chemistry and density distribution influence on visible luminescence of silicon quantum dots: an experimental and theoretical approach

Roles of the methyl and methylene groups of mercapto acids in the photoluminescence efficiency and carrier trapping dynamics of CdTe QDs

Improving thermoelectric performance of TiNiSn by mixing MnNiSb in the half-Heusler structure

Mixed-linker UiO-66: structure–property relationships revealed by a combination of high-resolution powder X-ray diffraction and density functional theory calculations

Protonation of aqueous alanine by photoionization of water

Acetylene adsorption on δ-MoC(001), TiC(001) and ZrC(001) surfaces: a comprehensive periodic DFT study

QCT dynamics study of OH/OD + GeH₄ reactions. The problem of water bending excitation

Cationic gemini surfactant as a dual linker for a cholic acid-modified polysaccharide in aqueous solution: thermodynamics of interaction and phase behavior

Simulation of selective thermodynamic deposition in nanoholes

Detection of a higher energy isomer of the CO–N₂O van der Waals complex and determination of two of its intermolecular frequencies

Primary vs. secondary H-atom abstraction in the Cl-atom reaction with n-pentane

Theoretical study on substituent and solvent effects for nanocubes formed with gear-shaped amphiphile molecules

Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies

On the accuracy of the general, state-specific polarizable-continuum model for the description of correlated ground- and excited states in solution

Polaron dynamics with off-diagonal coupling: beyond the Ehrenfest approximation

The correlations of the electronic structure and film growth of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on SiO₂

Generalized Born implicit solvent models for small molecule hydration free energies

Correction: Molecular and ionic diffusion in aqueous – deep eutectic solvent mixtures: probing inter-molecular interactions using PFG NMR

Inside back cover

Back cover

Physical Chemistry Chemical Physics Vol -9

Physical Chemistry Chemical Physics Vol -8

Physical Chemistry Chemical Physics Vol -7

Physical Chemistry Chemical Physics Vol -6

Physical Chemistry Chemical Physics Vol -5

Physical Chemistry Chemical Physics Vol -4

Physical Chemistry Chemical Physics Vol -3

Physical Chemistry Chemical Physics Vol -2

Physical Chemistry Chemical Physics Vol -0

Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies

Content Provider	Royal Society of Chemistry (RSC)
Author	Elguero, José Alkorta, Ibon Vendier, Laure Avilés-Moreno, Juan Ramón López-González, Juan Jesús Etienne, Michel Jacob, Kane Claramunt, Rosa M. Quesada-Moreno, María M.
Copyright Year	2017
Abstract	1H-Indazole derivatives exhibit a remarkable property since some of them form chiral supramolecular structures starting from achiral monomers. The present work deals with the study of three perfluorinated 1H-indazoles that resolve spontaneously as conglomerates. These conglomerates can contain either a pure enantiomer (one helix) or a mixture of both enantiomers (both helices) with an enantiomeric excess (e.e.) of one of them. The difficulty of the structural analysis of these types of compounds is thus clear. We outline a complete strategy to determine the structures and configurations (M or P helices) of the enantiomers (helices) forming the conglomerates of these perfluorinated 1H-indazoles based on X-ray crystallography, solid state NMR spectroscopy and different solid state vibrational spectroscopies that are either sensitive (VCD) or not (FarIR, IR and Raman) to chirality, together with quantum chemical calculations (DFT).
Starting Page	1632
Ending Page	1643
Page Count	12
File Format	HTM / HTML PDF
ISSN	14639076
Volume Number	19
Issue Number	2
Journal	Physical Chemistry Chemical Physics
DOI	10.1039/c6cp04940k
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	X-ray crystallography Chirality Enantiomer Quantum mechanics Enantiomeric excess Nuclear magnetic resonance spectroscopy Raman Video CD
Content Type	Text
Resource Type	Article
Subject	Physics and Astronomy Physical and Theoretical Chemistry

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Measurements of concentration dependence and enantiomeric purity of terpene solutions as a test of a new commercial VCD spectrometer

Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal

VCD spectroscopy as a novel probe for chirality transfer in molecular interactions

Twisted surfactant structures: an advanced theoretical model

A vibrational circular dichroism (VCD) methodology for the measurement of enantiomeric excess in chiral compounds in the solid phase and for the complementary use of NMR and VCD techniques in solution: the camphor case.

Determination of enantiomeric excess of carboxylates by fluorescent macrocyclic sensors

Accurate Determination of Enantiomeric Excess Using Raman Optical Activity

Tilt-polarization coupling in a homologous series of ferroelectric liquid crystals

Ideal enantiomeric resolution (Preferential Enrichment) by recrystallization of a racemic compound. V: Relationship between Preferential Enrichment and crystal structures

Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies

Similar Documents

Measurements of concentration dependence and enantiomeric purity of terpene solutions as a test of a new commercial VCD spectrometer

Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal

VCD spectroscopy as a novel probe for chirality transfer in molecular interactions

Twisted surfactant structures: an advanced theoretical model

A vibrational circular dichroism (VCD) methodology for the measurement of enantiomeric excess in chiral compounds in the solid phase and for the complementary use of NMR and VCD techniques in solution: the camphor case.

Determination of enantiomeric excess of carboxylates by fluorescent macrocyclic sensors

Accurate Determination of Enantiomeric Excess Using Raman Optical Activity

Tilt-polarization coupling in a homologous series of ferroelectric liquid crystals

Ideal enantiomeric resolution (Preferential Enrichment) by recrystallization of a racemic compound. V: Relationship between Preferential Enrichment and crystal structures

Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies