Poranne Research Group

Publications

Thanks for checking out our publications. The title of each paper is a clickable link that will take you to the version of record on the publisher's webpage.

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Modulating Paratropicity in Heteroarene-Fused Expanded Pentalenes

Said Jalife, Alexandra Tsybizova, Renana Gershoni-Poranne*, and Judy I. Wu*
Organic Letters, January 2024

COMPAS-2: a Dataset of Cata-Condensed Hetero-Polycyclic Aromatic Systems

Preprint
Eduardo Mayo Yanes, Sabyasachi Chakraborty, and Renana Gershoni-Poranne*
Scientific Data, January 2024

Light-Triggered Enhancement of Fluorescence Efficiency in Organic Cages

Zhenyu Yang, Ramesh Nandi, Anna Orieshyna, Renana Gershoni-Poranne, Shaodong Zhang*, and Nadav Amdursky*
Journal of Physical Chemistry Letters, December 2023

Guided diffusion for Inverse Molecular Design

Preprint
Tomer Weiss, Eduardo Mayo Yanes, Sabyasachi Chakraborty, Luca Cosmo, Alex M. Bronstein*, and Renana Gershoni-Poranne*
Nature Computational Science, October 2023

Repercussions of Multi-Electron Uptake by a Twistacene: a Reduction-Induced Double Dehydrogenative Annulation

Matthew Pennachio, Zheng Wei, Robert G. Clevenger, Kathleen V. Kilway, Alexandra Tsybizova, Renana Gershoni-Poranne*, and Marina A. Petrukhina*
Organic Chemistry Frontiers, September 2023

A Crowning Achievement: The First Solution-Phase Synthesis of Circumcoronenes

Renana Gershoni-Poranne* and Alexandra Tsybizova
Angewandte Chemie, May 2023

Interplay of Charge and Aromaticity Upon Chemical Reduction of p-Quinquephenyl with Alkali Metals

Matthew Pennachio, Zheng Zhou, Zheng Wei, Alexandra Tsybizova, Renana Gershoni-Poranne*, and Marina A. Petrukhina*
Organometallics, February 2023

Interpretable Deep-Learning Unveils Structure-Property Relationships in Polybenzenoid Hydrocarbons

Preprint
Tomer Weiss, Alexandra Wahab, Alex M. Bronstein, and Renana Gershoni-Poranne*
The Journal of Organic Chemistry, December 2022

Text-based representations with interpretable machine learning reveal structure–property relationships of polybenzenoid hydrocarbons

Preprint
Shachar Fite, Alexandra Wahab, Eno Paenurk, Zeev Gross, and Renana Gershoni-Poranne*
The Journal of Physical Organic Chemistry, December 2022

The COMPAS Project: A Computational Database of Polycyclic Aromatic Systems. Phase 1: cata-Condensed Polybenzenoid Hydrocarbons

Preprint
Alexandra Wahab, Lara Pfuderer, Eno Paenurk, and Renana Gershoni-Poranne*
Journal of Chemical Information and Modeling, July 2022

Localized Antiaromaticity Hot-spot Drives Reductive Dehydrogenative Cyclizations in Bis- and Mono-Helicenes

Preprint
Zheng Zhou, Dominic T. Egger, Chaowei Hu, Matthew Pennachio, Zheng Wei, Rahul K. Kawade, Ökten Üngör, Renana Gershoni-Poranne*, Marina A. Petrukhina*, and Igor V. Alabugin*
Journal of the American Chemical Society, June 2022

Simple and Efficient Visualization of Aromaticity: Bond Currents Calculated from NICS Values

Eno Paenurk* and Renana Gershoni-Poranne*
Phys. Chem. Chem. Phys., January 2022
Highlighted in Chemistry World.

Extensive Redox Non-Innocence in Iron Bipyridine-Diimine Complexes: a Combined Spectroscopic and Computational Study

Ranjeesh Thenarukandiyil, Eno Paenurk, Anthony Wong, Natalia Fridman, Amir Karton, Raanan Carmieli, Gabriel Ménard, Renana Gershoni-Poranne*, and Graham de Ruiter*
Inorganic Chemistry, November 2021

Tuning Magnetic Interactions Between Triphenylene Radicals by Variation of Crystal Packing in Structures with Alkali Metal Counterions

Zheng Zhou, Ökten Üngör, Zheng Wei, Michael Shatruk*, Alexandra Tsybizova, Renana Gershoni-Poranne*, and Marina Petrukhina*
Inorganic Chemistry, September 2021

Chapter 4: NICS — Nucleus Independent Chemical Shift

Preprint
Renana Gershoni-Poranne* and Amnon Stanger*
Aromaticity: Modern Computational Methods and Applications, May 2021
Edited by: Israel Fernandez
Published by: Elsevier

Prediction of Spin Density, Baird‐Antiaromaticity, and Singlet‐Triplet Energy Gap in Triplet‐State Polybenzenoid Systems from Simple Structural Motifs

Greta Markert, Eno Paenurk, and Renana Gershoni-Poranne*
Chemistry - A European Journal, January 2021

Predicting bond-currents in polybenzenoid hydrocarbons with an additivity scheme

Eno Paenurk, Stefan Feusi, and Renana Gershoni-Poranne*
The Journal of Chemical Physics, January 2021
Invited contribution for the Issue Honoring Women in Physical Chemistry and Chemical Physics


Peptide–Metal Frameworks with Metal Strings Guided by Dispersion Interactions

Tobias Schnitzer, Eno Paenurk, Nils Trapp, Renana Gershoni-Poranne, and Helma Wennemers
Journal of the American Chemical Society, January 2021



Predi-XY: A Python program for automated generation of NICS-XY-Scans based on an Additivity Scheme

Alexandra Wahab, Felix Fleckenstein, Stefan Feusi, and Renana Gershoni-Poranne*
Electronic Structure, December 2020
Invited contribution for the Emerging Leaders issue


Flat corannulene: when a transition state becomes a stable molecule

Ephrath Solel, Doron Pappo, Ofer Reany, Tom Mejuch, Renana Gershoni-Poranne, Mark Botoshansky, Amnon Stanger, and Ehud Keinan
Chemical Science, October 2020



Ring-fused cyclobutanes via cycloisomerization of alkylidenecyclopropane acylsilanes

Sarah Eichenberger, Moritz Hönig, Matthieu J. R. Richter, Renana Gershoni-Poranne*, and Erick M. Carreira*
Chemical Science, May 2020



Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional 19F Solid-State NMR Spectroscopy

Marco A. Ruiz-Preciado, Dominik J. Kubicki, Albert Hofstetter, Lucie McGovern, Moritz H. Futscher, Amita Ummadisingu, Renana Gershoni-Poranne, Shaik M. Zakeeruddin, Bruno Ehrler, Lyndon Emsley, Jovana V. Milić, and Michael Grätzel
Journal of the American Chemical Society, January 2020

Negative charge as a lens for concentrating antiaromaticity in twisted polyaromatics: taking advantage of a pentagonal “defect” and helicene strain for reductive annulation

Zheng Zhou, Rahul K. Kawade, Zheng Wei, Febin Kuriakose, Ökten Üngör, Minyoung Jo, Michael Shatruk, Renana Gershoni-Poranne*, Marina A. Petrukhina*, and Igor Alabugin*
Angewandte Chemie, November 2019

Mechanistic Studies on the Nickel-Catalyzed Cyclopropanation with Lithiomethyltrimethylammonium Triflate

Stefan A. Künzi, Renana Gershoni-Poranne, and Peter Chen
Organometallics, May 2019

An Additivity Scheme for Aromaticity: The Heteroatom Case

Patrick Finkelstein, Renana Gershoni-Poranne*
ChemPhysChem, February 2019

Light-Responsive Pyrazine-Based Systems: Probing Aromatic Diarylethene Photocyclization

Jovana V. Milić, Cédric Schaak, Nora Hellou, Florin Isenrich, Renana Gershoni-Poranne, Dmytro Neshchadin, Sylvain Egloff, Nils Trapp, Laurent Ruhlmann, Corinne Boudon, Georg Gescheidt, Jeanne Crassous, and François Diederich
Journal of Physical Chemistry C, August 2018

The Predictive Power of Aromaticity: Quantitative Correlation between Aromaticity and Ionization Potentials and HOMO-LUMO Gaps in Oligomers of Benzene, Pyrrole, Furan, and Thiophene

Renana Gershoni-Poranne*, Anuja Rahalkar, and Amnon Stanger*
Physical Chemistry Chemical Physics, May 2018

Piecing it Together: An Additivity Scheme for Aromaticity using NICS-XY-Scans

Renana Gershoni-Poranne*
Chemistry - A European Journal, January 2018

Reponse to “Covalent Bonding and Charge Shift Bonds: Comment on ‘The Carbon–Nitrogen Bonds in Ammonium Compounds Are Charge Shift Bonds’

Peter Chen, and Renana Gershoni-Poranne
Chemistry - A European Journal, December 2017

Trends in Metallophilic Bonding in Pd–Zn and Pd–Cu Complexes

Eno Paenurk, Renana Gershoni-Poranne, and Peter Chen
Organometallics, December 2017

The Carbon–Nitrogen Bonds in Ammonium Compounds Are Charge Shift Bonds

Renana Gershoni-Poranne, and Peter Chen
Chemistry - A European Journal, March 2017

Magnetic Criteria of Aromaticity

Renana Gershoni-Poranne, Amnon Stanger
Chemical Society Reviews, June 2015

Tetraazaacenes Containing Four-Membered Rings in Different Oxidation States. Are They Aromatic? A Computational Study

Manuel Schaffroth, Renana Gershoni-Poranne, Amnon Stanger, and Uwe H. F. Bunz
The Journal of Organic Chemistry, November 2014

The NICS-XY-Scan: Identification of Local and Global Ring Currents in Multi-Ring Systems

Renana Gershoni-Poranne and Amnon Stanger
Chemistry - A European Journal, March 2014

Concurrence between Current Density, Nucleus-Independent Chemical Shifts, and Aromatic Stabilization Energy: The Case of Isomeric [4]- and [5]Phenylenes

Renana Gershoni-Poranne, Christopher M. Gibson, Patrick W. Fowler>, and Amnon Stanger
The Journal of Organic Chemistry, July 2013

An MO-Based Identification of Charge-Shift Bonds

Renana Gershoni-Poranne, Amnon Stanger
ChemPhysChem, June 2012

Evidence for Fully Conjugated Double-Stranded Cycles

Malte Standera, Rolf Häfliger, Renana Gershoni-Poranne, Amnon Stanger, Gunnar Jeschke, Jacco D. van Beek, Louis Bertschi, and A. Dieter Schlüter
Chemistry - A European Journal, September 2011

Corannulene Ethers via Ullmann Condensation

Renana Gershoni-Poranne, Doron Pappo, Ephrath Solel, and Ehud Keinan
Organic Letters, October 2009