Prospecting in Hückel‐space: From Hinokitiol to Non‐benzenoid Organic Electronics

Tovar, John D.

doi:10.1002/tcr.201300034

“…In particular, I wish to provide some understanding and documentation of the social and communicative norms of the chemical community in the second half of the 20th century. In fact, the entire Nozoe Autograph Books along with many of their accompanying essays [1][2][3][4][5][7][8][9][10][11] are intended to do just that, as well.…”

Section: Introductionmentioning

confidence: 99%

Tetsuo Nozoe: The World Traveler, On a Determined Trajectory

Seeman

¹

2014

The Chemical Record

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Tetsuo Nozoe embarked on many grand tours during his lifetime. The Grand Tours of late 1966 are among his most impressive, spanning Europe and North America with short trips back to Japan in between. Jeffrey I. Seeman takes us along these tours, showing how Nozoe was able to squeeze in a breathtaking number of visits into his “wish list” of organic chemistry, at a time before internet and mobile phones. This Essay and the interactive website that accompanies the Nozoe Autograph Book project are available free‐access for at least a three‐year period at http://www.tcr.wiley-vch.de/nozoe.

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“…Due to their stable low band-gaps, tunability, and structural features, PASs have long been the workhorses of organic electronics. [13][14][15][16] In recent years, specific classes of PASs, such as indacenes 17,18 and indenofluorenes, 19,20 have shown great promise in optical and electronic devices. Furthermore, as the aromaticity is tightly linked to the electronic behavior of these compounds, 21 it serves as a useful metric for rational design of new molecules.…”

Section: Introductionmentioning

confidence: 99%

Predi-XY: a python program for automated generation of NICS-XY-scans based on an additivity scheme

Wahab¹,

Fleckenstein²,

Feusi³

et al. 2020

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Polycyclic aromatic systems are prevalent in chemistry and materials science because their thermodynamic stability, planarity, and tunable electronic properties make them uniquely suited for various uses. These properties are closely linked to the aromaticity of the systems. Therefore, characterizing the aromatic behavior is useful for designing new functional compounds and understanding their reactivity. NICS-XY-scans are a popular and simple tool for investigating the aromatic trends in polycyclic systems. Herein we present Predi-XY: an automated system for generating NICS-XY-scans for polycyclic aromatic systems using an additivity scheme. The program provides the predicted scans at a fraction of the computational cost of a full quantum mechanical calculation and enables rapid comparison of various polycyclic aromatic systems.

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“…Due to their stable low band-gaps, tunability, and structural features, PASs have long been the workhorses of organic electronics. [13][14][15][16] In recent years, specific classes of PASs, such as indacenes 17,18 and indenofluorenes, 19,20 have shown great promise in optical and electronic devices. Furthermore, as the aromaticity is tightly linked to the electronic behavior of these compounds, 21 it serves as a useful metric for rational design of new molecules.…”

Section: Introductionmentioning

confidence: 99%