scholarly journals Fluorinated Porphyrinic Crystalline Solids: Structural Elucidation and Study of Intermolecular Interactions

10.5772/62946 ◽  
2016 ◽  
Author(s):  
Subramaniam Sujatha ◽  
Chellaiah Arunkumar
Keyword(s):  
Intermolecular Interactions ◽  
Structural Elucidation ◽  
Crystalline Solids

scholarly journals Chiroptical Sensing

2019 ◽  
Author(s):  
Ani Ozcelik ◽  
Raquel Pereira-Cameselle ◽  
Nataša Poklar Ulrih ◽  
Ana G. Petrovic ◽  
José Lorenzo Alonso-Gómez
Keyword(s):  
Intermolecular Interactions ◽  
Rational Design ◽  
Review Article ◽  
Structural Elucidation ◽  
Sensing Applications ◽  
Theoretical Approaches ◽  
Essential Tool

Chiroptical responses have been an essential tool over the last decades for chemical structural elucidation due to their exceptional sensitivity to geometry and intermolecular interactions. In recent times, there has been an increasing interest for the search of more efficient sensing by the rational design of tailored chiroptical systems. In this Review article, advances on chiroptical systems towards their implementation in sensing applications are summarized. Strategies to generate chiroptical responses are illustrated. Theoretical approaches to assist in the design of these systems are discussed. Development of efficient chiroptical reporters in different states of matter, essential for the implementation in sensing devises, is reviewed. In the last part, remarkable examples of chiroptical sensing applications are highlighted.

scholarly journals Structural Elucidation of Enantiopure and Racemic 2-Bromo-3-Methylbutyric Acid

Chemistry ◽  
2020 ◽  
Vol 2 (3) ◽  
pp. 691-699
Author(s):  
Rüdiger W. Seidel ◽  
Nils Nöthling ◽  
Richard Goddard ◽  
Christian W. Lehmann
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Intermolecular Interactions ◽  
Crystal Packing ◽  
Structural Elucidation ◽  
Monocarboxylic Acids ◽  
Triclinic Crystal System ◽  
X Ray Crystallography ◽  
Methylbutyric Acid ◽  
Solid State Structures

Halogenated carboxylic acids have been important compounds in chemical synthesis and indispensable research tools in biochemical studies for decades. Nevertheless, the number of structurally characterized simple α-brominated monocarboxylic acids is still limited. We herein report the crystallization and structural elucidation of (R)- and rac-2-bromo-3-methylbutyric acid (2-bromo-3-methylbutanoic acid, 1) to shed light on intermolecular interactions, in particular hydrogen bonding motifs, packing modes and preferred conformations in the solid-state. The crystal structures of (R)- and rac-1 are revealed by X-ray crystallography. Both compounds crystallize in the triclinic crystal system with Z = 2; (R)-1 exhibits two crystallographically distinct molecules. In the crystal, (R)-1 forms homochiral O–H···O hydrogen-bonded carboxylic acid dimers with approximate non-crystallographic C2 symmetry. In contrast, rac-1 features centrosymmetric heterochiral dimers with the same carboxy syn···syn homosynthon. The crystal packing of centrosymmetric rac-1 is denser than that of its enantiopure counterpart (R)-1. The molecules in both crystal structures adopt a virtually identical staggered conformation, despite different crystal environments, which indicates a preferred molecular structure of 1. Intermolecular interactions apart from classical O–H···O hydrogen bonds do not appear to have a crucial bearing on the solid-state structures of (R)- and rac-1.

scholarly journals Chiroptical Sensing: A Conceptual Introduction

Sensors ◽  
2020 ◽  
Vol 20 (4) ◽  
pp. 974 ◽  
Author(s):  
Ani Ozcelik ◽  
Raquel Pereira-Cameselle ◽  
Natasa Poklar Ulrih ◽  
Ana G. Petrovic ◽  
José Lorenzo Alonso-Gómez
Keyword(s):  
Intermolecular Interactions ◽  
Rational Design ◽  
Review Article ◽  
Structural Elucidation ◽  
Sensing Applications ◽  
Theoretical Approaches ◽  
Essential Tool ◽  
Made In

Chiroptical responses have been an essential tool over the last decades for chemical structural elucidation due to their exceptional sensitivity to geometry and intermolecular interactions. In recent times, there has been an increasing interest in the search for more efficient sensing by the rational design of tailored chiroptical systems. In this review article, advances made in chiroptical systems towards their implementation in sensing applications are summarized. Strategies to generate chiroptical responses are illustrated. Theoretical approaches to assist in the design of these systems are discussed. The development of efficient chiroptical reporters in different states of matter, essential for the implementation in sensing devises, is reviewed. In the last part, remarkable examples of chiroptical sensing applications are highlighted.

Contrast From Point Defects in The Infinitesimal Approximation

1980 ◽  
Vol 38 ◽  
pp. 350-351
Author(s):  
L. J. Sykes ◽  
J. J. Hren
Keyword(s):  
Electron Microscope ◽  
Point Defects ◽  
Broad Class ◽  
Stacking Fault ◽  
Crystalline Solids ◽  
Dislocation Loops ◽  
Analytical Expression ◽  
Stacking Fault Tetrahedra

In electron microscope studies of crystalline solids there is a broad class of very small objects which are imaged primarily by strain contrast. Typical examples include: dislocation loops, precipitates, stacking fault tetrahedra and voids. Such objects are very difficult to identify and measure because of the sensitivity of their image to a host of variables and a similarity in their images. A number of attempts have been made to publish contrast rules to help the microscopist sort out certain subclasses of such defects. For example, Ashby and Brown (1963) described semi-quantitative rules to understand small precipitates. Eyre et al. (1979) published a catalog of images for BCC dislocation loops. Katerbau (1976) described an analytical expression to help understand contrast from small defects. There are other publications as well.

Isolation and structural elucidation of novel natural compounds from twigs of Pinus banksiana

Planta Medica ◽  
2013 ◽  
Vol 79 (13) ◽  
Author(s):  
C Si ◽  
X Ren ◽  
S Liu ◽  
G Xu ◽  
J Jiang
Keyword(s):  
Pinus Banksiana ◽  
Natural Compounds ◽  
Structural Elucidation
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