Josef Michl Festschrift Virtual Special Issue

30 March 2021
Josef Michl Festschrift Virtual Special Issue
The cover art of the Josef Michl Festschrift Virtual Special Issue was created to celebrate Josef Michl's achievements throughout his distinguished scientific carrier. Depicted chemical structures (carboranes, polysilanes, diphenylisobensofuranes, staffanes, etc.) represent only a tiny fraction of the compounds he was interested in and that were subjects of important discoveries in photochemistry, organic, inorganic, computational, physical, and supramolecular chemistry. (Graphic design: Tomáš Belloň / IOCB Prague) 

The Journal of Physical Chemistry A published a festschrift dedicated to Professor Josef Michl (* 12 March 1939) from IOCB Prague and the University of Colorado Boulder on the occasion of his 80th birthday. The special virtual issue, organized by guest editors and Josef Michl’s long-term collaborators Zdeněk Havlas and Jiří Kaleta, recognizes his numerous outstanding contributions to many fields of chemistry, specifically photochemistry, photophysics, solar energy, surface-mounted molecular rotors, and molecular electronics, strained molecules, boron, fluorine and silicon chemistry, and molecular electronic structure.

Apart from Tribute to Josef Michl and Josef Michl’s autobiography, the issue includes 55 articles from the fields of structure, spectroscopy, reactivity of molecules and clusters; liquids and chemical and dynamical processes in solution; and energy, materials, and catalysis.

Read the issue here.

From the Tribute to Josef Michl (by Zdeněk Havlas & Jiří Kaleta)

“Josef was born in Prague, Czechoslovakia, in 1939. Following his M.S. in chemistry at Charles University with Prof. Václav Horák and Dr. Petr Zuman in 1961, he obtained his Ph.D. in chemistry at the Czechoslovak Academy of Sciences, Prague, with Dr. Rudolf Zahradník in 1965. Years 1965 to 1967 Josef spent in Texas as a postdoc, with Prof. Ralf S. Baker in Houston and in Austin with Prof. Michael J. S. Dewar. He spent only one year in his home institution in Prague after Russian troops interrupted the Prague Spring. Josef left for Aarhus University in Denmark where he became an assistant professor with Prof. Jan Linderberg, and after one year he moved to Salt Lake City in the United States, which became his new and appreciated home.

Starting as a postdoc with Frank E. Harris, Josef rose to Professor and Chairman of the Department of Chemistry, University of Utah. He then moved south again to Austin as the M. K. Collie-Welch Regents Chair in Chemistry (1986–1991). Finally, he accepted a position at the Department of Chemistry and Biochemistry, University of Colorado, Boulder. Starting in 2006 he was invited to assume the position of Group Leader in the Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, where he has a second research group. To date, he shares both positions, which naturally requires extensive travel.

Prof. Michl has given approximately 500 Invited Lectures, Named Lectureships, Visiting Positions, and Colloquia in the last 20 years alone. His list of Awards and Honors is equally extensive, and we highlight only a few: U.S. National Academy of Sciences (1986), American Academy of Arts and Sciences (1999), Porter Medal (2002), Patria Award, Government of the Czech Republic (2005), Hammond Award (2015), Fellow of the Royal Society of Chemistry (2019), and many, many more.

Perhaps more important than his numerous lectures and awards is Josef’s influence on colleagues and numerous students. Josef has inspired scientists and students all over the world, including us. He is always able to share his ideas with others being able to use his ability to explain anything from chemistry, physics, mathematics (or even from several languages, and other “social” disciplines) in simple, understandable terms, accompanying his explanation with a very human smile. We are happy to be part of the community learning from his wide-ranging impact of his work and personality.”


Structure, Spectroscopy, and Reactivity of Molecules and Clusters

  • Perylene-Monoimides: Singlet Fission Down-Conversion Competes with Up-Conversion by Geminate Triplet–Triplet Recombination. Ilias Papadopoulos, David Gutiérrez-Moreno, Patrick M. McCosker, Rubén Casillas, Paul A. Keller, Ángela Sastre-Santos, Timothy Clark*, Fernando Fernández-Lázaro*, and Dirk M. Guldi*. J. Phys. Chem. A 124, 28, 5727-5736. Publication Date (Web): June 22, 2020.
  • [1,5]-Sigmatropic Shifts Regulated by Built-in Frustration. Dinesh V. Vidhani*, Jared R. Gillett, Yanet Cusido, and Igor V. Alabugin*. J. Phys. Chem. A 124, 29, 6016-6028. Publication Date (Web): June 29, 2020.
  • Determination of the pKa Values of trans-Resveratrol, a Triphenolic Stilbene, by Singular Value Decomposition. Comparison with Theory. László Zimányi*, Shareefa Thekkan, Brett Eckert, Alanna R. Condren, Olga Dmitrenko, Leah R. Kuhn, Igor V. Alabugin, and Jack Saltiel*. J. Phys. Chem. A 124, 31, 6294-6302. Publication Date (Web): July 8, 2020.
  • Theoretical Molecular Design of Phenanthrenes for Singlet Fission by Diazadibora-Substitution. Takanori Nagami, Hajime Miyamoto, Wataru Yoshida, Kenji Okada, Takayoshi Tonami, and Masayoshi Nakano*. J. Phys. Chem. A 124, 34, 6778-6789. Publication Date (Web): July 29, 2020.
  • Topology, Distance, and Orbital Symmetry Effects on Electronic Spin–Spin Couplings in Rigid Molecular Systems: Implications for Long-Distance Spin–Spin Interactions. Ruobing Wang, Chih-Hung Ko, Alexander M. Brugh, Yusong Bai, Malcolm D. E. Forbes*, and Michael J. Therien*. J. Phys. Chem. A 124, 37, 7411-7415. Publication Date (Web): August 14, 2020.
  • Evaluation of an Efficient 3D-RISM-SCF Implementation as a Tool for Computational Spectroscopy in Solution. Marc Reimann and Martin Kaupp*. J. Phys. Chem. A 124, 37, 7439-7452. Publication Date (Web): August 24, 2020.
  • Triplet Exciton Transfers and Triplet–Triplet Annihilation in Anthracene Derivatives via Direct versus Superexchange Pathways Governed by Molecular Packing. Hiroyuki Tamura*. J. Phys. Chem. A 124, 39, 7943-7949. Publication Date (Web): September 9, 2020.
  • Magnetic Circular Dichroism of meso-Phenyl-Substituted Pd-Octaethylporphyrins. A. Gorski*, M. Kijak, E. Zenkevich, V. Knyukshto, A. Starukhin, A. Semeikin, T. Lyubimova, T. Roliński, and J. Waluk*. J. Phys. Chem. A 124, 40, 8144-8158. ACS AuthorChoice. Publication Date (Web): September 16, 2020.
  • Diboron- and Diaza-Doped Anthracenes and Phenanthrenes: Their Electronic Structures for Being Singlet Fission Chromophores. Ekadashi Pradhan, Seunghoon Lee, Cheol Ho Choi, and Tao Zeng*. J. Phys. Chem. A 124, 40, 8159-8172. Publication Date (Web): September 9, 2020.
  • Evaluation of Single-Reference DFT-Based Approaches for the Calculation of Spectroscopic Signatures of Excited States Involved in Singlet Fission. Jie Han, Dirk Robert Rehn, Tiago Buckup, and Andreas Dreuw*. J. Phys. Chem. A 124, 41, 8446-8460. Publication Date (Web): September 21, 2020.
  • Balancing Charge Transfer and Frenkel Exciton Coupling Leads to Excimer Formation in Molecular Dimers: Implications for Singlet Fission. Youn Jue Bae, Daiki Shimizu, Jonathan D. Schultz, Gyeongwon Kang, Jiawang Zhou, George C. Schatz, Atsuhiro Osuka, and Michael R. Wasielewski*. J. Phys. Chem. A 124, 41, 8478-8487. Publication Date (Web): September 25, 2020.
  • Steady-State Fluorescence Signatures of Intramolecular Singlet Fission from Stochastic Predictions. David J. Walwark and John K. Grey*. J. Phys. Chem. A 124, 43, 8918-8930. Publication Date (Web): October 14, 2020.
  • Herzberg–Teller Effect on the Vibrationally Resolved Absorption Spectra of Single-Crystalline Pentacene at Finite Temperatures. Yuqin Qian, Xia Li, Avetik R. Harutyunyan, Gugang Chen, Yi Rao*, and Hanning Chen*. J. Phys. Chem. A 124, 44, 9156-9165. Publication Date (Web): October 26, 2020.
  • Long-Lived Local Triplet Excited State and Charge Transfer State of 4,4′-Dimethoxy Triphenylamine-BODIPY Compact Electron Donor/Acceptor Dyads. Yuqi Hou, Jinling Liu, Nan Zhang, and Jianzhang Zhao*. J. Phys. Chem. A 124, 45, 9360-9374. Publication Date (Web): November 3, 2020.
  • Bridge Resonance Effects in Singlet Fission. Kaia R. Parenti, Guiying He, Samuel N. Sanders, Andrew B. Pun, Elango Kumarasamy, Matthew Y. Sfeir*, and Luis M. Campos*. J. Phys. Chem. A 124, 45, 9392-9399. Publication Date (Web): November 3, 2020.
  • Wave Function Based Analysis of Dynamics versus Yield of Free Triplets in Intramolecular Singlet Fission. Rafi Chesler, Souratosh Khan, and Sumit Mazumdar*. J. Phys. Chem. A 124, 49, 10091-10099. Publication Date (Web): December 1, 2020.
  • Controlling Möbius-Type Helicity and the Excited-State Properties of Cumulenes with Carbenes. Piermaria Pinter and Dominik Munz*. J. Phys. Chem. A 124, 49, 10100-10110. Publication Date (Web): December 1, 2020.
  • Size Dependence of Non-Radiative Decay Rates in J-Aggregates. Alexander Humeniuk, Roland Mitrić*, and Vlasta Bonačić-Koutecký*. J. Phys. Chem. A 124, 49, 10143-10151. Publication Date (Web): November 27, 2020.
  • Singlet Fission Dynamics in Tetracene Single Crystals Probed by Polarization-Dependent Two-Dimensional Electronic Spectroscopy. Guodong Wang, Chunfeng Zhang*, Zhixing Liu, Rui Wang, Haibo Ma, Xiaoyong Wang, and Min Xiao. J. Phys. Chem. A 124, 50, 10447-10456. Publication Date (Web): December 8, 2020.
  • Conformational Control of the Photodynamics of a Bilirubin Dipyrrinone Subunit: Femtosecond Spectroscopy Combined with Nonadiabatic Simulations. Jiří Janoš, Dominik Madea, Sadegh Mahvidi, Taufiqueahmed Mujawar, Jakub Švenda, Jiří Suchan, Petr Slavíček*, and Petr Klán*. J. Phys. Chem. A 124, 50, 10457-10471. Publication Date (Web): December 7, 2020.
  • Isothermal and Isoconversional Modeling of Solid-State Nitroso Polymerization. Petar Bibulić, Igor Rončević*, Mario Špadina, Ivana Biljan, and Hrvoj Vančik*. J. Phys. Chem. A 124, 51, 10726-10735. Publication Date (Web): December 11, 2020.
  • Doping Capabilities of Fluorine on the UV Absorption and Emission Spectra of Pyrene-Based Graphene Quantum Dots. Bo Liu, Adelia J. A. Aquino, Dana Nachtigallová*, and Hans Lischka*. J. Phys. Chem. A 124, 52, 10954-10966. Publication Date (Web): December 16, 2020.
  • Polymorphism Dependent 9-Phosphoanthracene Derivative Exhibiting Thermally Activated Delayed Fluorescence: A Computational Investigation. Arun K. Pal, Kalishankar Bhattacharyya, and Ayan Datta*. J. Phys. Chem. A 124, 52, 11025-11037. Publication Date (Web): December 17, 2020.
  • Magnetic Circular Dichroism of Naphthalene Derivatives: A Coupled Cluster Singles and Approximate Doubles and Time-Dependent Density Functional Theory Study. S. Ghidinelli*, G. Longhi, S. Abbate, C. Hättig, and S. Coriani*. J. Phys. Chem. A 125, 1, 243-250. Publication Date (Web): December 23, 2020.
  • Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications. Rabia Ayub, Ouissam El Bakouri, Joshua R. Smith, Kjell Jorner, and Henrik Ottosson*. J. Phys. Chem. A 125, 2, 570-584. ACS AuthorChoice. Publication Date (Web): January 11, 2021.
  • Direct Nonadiabatic Simulations of the Photoinduced Charge Transfer Dynamics. Sharma S. R. K. C. Yamijala* and Pengfei Huo*. J. Phys. Chem. A 125, 2, 628-635. Publication Date (Web): January 12, 2021.
  • Theoretical Engineering of Singlet Fission Kinetics in Perylene Bisimide Dimer with Chromophore Rotation. Yongseok Hong, Juno Kim, Dongho Kim*, and Hyungjun Kim*. J. Phys. Chem. A 125, 3, 875-884. Publication Date (Web): January 13, 2021.
  • Computational Study of Actinyl Ion Complexation with Dipyriamethyrin Macrocyclic Ligands. Elumalai Varathan, Yang Gao, and Georg Schreckenbach*. J. Phys. Chem. A 125, 4, 920-932. Publication Date (Web): January 21, 2021.
  • Singlet Exciton Fission and Associated Enthalpy Changes with a Covalently Linked Bichromophore Comprising TIPS-Pentacenes Held in an Open Conformation. Joshua K. G. Karlsson, Alparslan Atahan, Anthony Harriman*, Nikolai V. Tkachenko, Andrew D. Ward, Fabio A. Schaberle, Carlos Serpa, and Luis G. Arnaut. J. Phys. Chem. A 125, 5, 1184-1197. Publication Date (Web): February 2, 2021.
  • Evaluation of Local Hybrid Functionals for Electric Properties: Dipole Moments and Static and Dynamic Polarizabilities. Robin Grotjahn, Gregor J. Lauter, Matthias Haasler, and Martin Kaupp*. J. Phys. Chem. A 124, 40, 8346-8358. Publication Date (Web): September 7, 2020.
  • Perturbation of Pyridinium CIVP Spectra by N2 and H2 Tags: An Experimental and BOMD Study. Alexandra Tsybizova, Eno Paenurk, Vladimir Gorbachev, and Peter Chen*. J. Phys. Chem. A 124, 41, 8519-8528. Publication Date (Web): September 21, 2020.
  • Effect of π-System Extension on the Ionization Energy of the Planar Blatter Radical: Experimental and Theoretical Studies. Aniket A. Hande, Patrick Baylère, Piotr Kaszyński*, and Anna Chrostowska*. J. Phys. Chem. A 124, 47, 9777-9782. Publication Date (Web): November 16, 2020.
  • Exploring the State Space Structure of Multiple Spins via Modular Tensor Diagram Approach: Going beyond the Exciton Pair State. Yunshu Tan and Guohua Tao*. J. Phys. Chem. A 125, 9, 1972-1980. ACS AuthorChoice. Publication Date (Web): March 1, 2021.

Liquids; Chemical and Dynamical Processes in Solution

  • An Activatable Triplet Sensitizer Based on Triplet Electron Transfer and Its Application for Triplet–Triplet Annihilation Upconversion. Shanshan Liu, Xiangyang Wang, Heyuan Liu*, Zuoxu Xiao, Changjing Zhou, Yanli Chen, and Xiyou Li*. J. Phys. Chem. B 124, 29, 6389-6397. Publication Date (Web): July 1, 2020.
  • Conformer-Specific Photodissociation Dynamics of CF2ICF2I in Solution Probed by Time-Resolved Infrared Spectroscopy. Seongchul Park, Taegon Lee, Juhyang Shin, Hojeong Yoon, Youngshang Pak, and Manho Lim*. J. Phys. Chem. B 124, 39, 8640-8650. Publication Date (Web): September 7, 2020.
  • Specific Host–Guest Interactions in the Crown Ether Complexes with K+ and NH4+ Revealed from the Vibrational Relaxation Dynamics of the Counteranion. Dexia Zhou, Hongxing Hao, Yinhua Ma, Hongmei Zhong, Ya’nan Dai, Kaicong Cai, Somnath Mukherjee, Jing Liu, and Hongtao Bian*. J. Phys. Chem. B 124, 41, 9154-9162. Publication Date (Web): September 23, 2020.
  • Ultrafast Singlet Fission in Rigid Azaarene Dimers with Negligible Orbital Overlap. Nicolò Alagna, Jose Luis Pérez Lustres, Ashkan Roozbeh, Jie Han, Sebastian Hahn, Felix J. Berger, Jana Zaumseil, Andreas Dreuw*, Uwe H. F. Bunz*, and Tiago Buckup*. J. Phys. Chem. B 124, 41, 9163-9174. Publication Date (Web): September 23, 2020.
  • Geometries and Terahertz Motions Driving Quintet Multiexcitons and Ultimate Triplet–Triplet Dissociations via the Intramolecular Singlet Fissions. Yasuhiro Kobori*, Masaaki Fuki, Shunta Nakamura, and Taku Hasobe. J. Phys. Chem. B 124, 42, 9411-9419. Publication Date (Web): September 26, 2020.
  • Electrochemical Properties and Excited-State Dynamics of Azaperylene Derivatives. Akitsu Hirono, Hayato Sakai, Shuntaro Kochi, Tohru Sato*, and Taku Hasobe*. J. Phys. Chem. B 124, 44, 9921-9930. Publication Date (Web): October 21, 2020.

Energy, Materials, and Catalysis

  • General Method for Determining Redox Potentials without Electrolyte. Matthew J. Bird*, Matthew A. Pearson, Sadayuki Asaoka, and John R. Miller. J. Phys. Chem. A 124, 26, 5487-5495. Publication Date (Web): May 21, 2020.
  • Singlet Fission and Electron Injection from the Triplet Excited State in Diphenylisobenzofuran–Semiconductor Assemblies: Effects of Solvent Polarity and Driving Force. Elin Sundin, Rasmus Ringström, Fredrik Johansson, Betül Küçüköz, Andreas Ekebergh, Victor Gray, Bo Albinsson, Jerker Mårtensson, and Maria Abrahamsson*. J. Phys. Chem. C 124, 38, 20794-20805. ACS AuthorChoice. Publication Date (Web): August 24, 2020.
  • Soft Selection Rules for Femtosecond Pump–Probe Vibrational Coherence Spectroscopy. Marcin Andrzejak, Grzegorz Mazur, Tomasz Skóra, and Piotr Petelenz*. J. Phys. Chem. C 124, 43, 23501-23510. ACS AuthorChoice. Publication Date (Web): October 19, 2020.
  • Anisotropic Triplet Exciton Diffusion in Crystalline Functionalized Pentacene. Rohan J. Hudson, David M. Huang*, and Tak W. Kee*. J. Phys. Chem. C 124, 43, 23541-23550. Publication Date (Web): October 14, 2020.
  • Ultrafast Triplet Pair Separation and Triplet Trapping following Singlet Fission in Amorphous Pentacene Films. Kyle T. Munson, Jianing Gan, Christopher Grieco, Grayson S. Doucette, John E. Anthony, and John B. Asbury*. J. Phys. Chem. C 124, 43, 23567-23578. Publication Date (Web): October 14, 2020.
  • Examining the Influence of Bilayer Structure on Energy Transfer and Molecular Photon Upconversion in Metal Ion Linked Multilayers. Ashley Arcidiacono, Yan Zhou, Wendi Zhang, Jeffrey O. Ellison, Suliman Ayad, Erica S. Knorr, Autumn N. Peters, Lianqing Zheng, Wei Yang*, S. Scott Saavedra*, and Kenneth Hanson*. J. Phys. Chem. C 124, 43, 23597-23610. Publication Date (Web): October 14, 2020.
  • Charge Separation and Charge Transfer in the Low-Lying Excited States of Pentacene. Bushra Alam, Adrian F. Morrison, and John M. Herbert*. J. Phys. Chem. C 124, 45, 24653-24666. Publication Date (Web): October 28, 2020.
  • Tuning the Optical Characteristics of Diketopyrrolopyrrole Molecules in the Solid State by Alkyl Side Chains. Bart W. H. Saes, Martin Lutz, Martijn M. Wienk, Stefan C. J. Meskers*, and René A. J. Janssen*. J. Phys. Chem. C 124, 46, 25229-25238. ACS AuthorChoice. Publication Date (Web): November 5, 2020.
  • Thickness-Dependent Exciton Dynamics in Thermally Evaporated Rubrene Thin Films. Chia-Hsun Chen, Pin-Hao Sher, Cheng-Pin Chen, Wing-Kit Choi, Christopher J. Bardeen, Tien-Lung Chiu*, Juen-Kai Wang*, and Jiun-Haw Lee*. J. Phys. Chem. C 124, 47, 25729-25737. Publication Date (Web): November 9, 2020.
  • Assessing Zethrene Derivatives as Singlet Fission Candidates Based on Multiple Descriptors. Xingyu Liu, Rithwik Tom, Siyu Gao, and Noa Marom*. J. Phys. Chem. C 124, 48, 26134-26143. Publication Date (Web): November 17, 2020.
  • Triplet Excitons in Pentacene Are Intrinsically Difficult to Dissociate via Charge Transfer. Natalie A. Pace, Tyler T. Clikeman, Steven H. Strauss, Olga V. Boltalina, Justin C. Johnson*, Garry Rumbles*, and Obadiah G. Reid*. J. Phys. Chem. C 124, 48, 26153-26164. Publication Date (Web): November 17, 2020.
  • Pump–Probe X-ray Photoemission Reveals Light-Induced Carrier Accumulation in Organic Heterojunctions. Roberto Costantini, Cesare Grazioli, Albano Cossaro, Luca Floreano, Alberto Morgante, and Martina Dell’Angela*. J. Phys. Chem. C 124, 49, 26603-26612. Publication Date (Web): December 1, 2020.
  • Energy-Level Alignment Tuning at Tetracene/c-Si Interfaces. Jens Niederhausen*, Rowan W. MacQueen, Engin Özkol, Clemens Gersmann, Moritz H. Futscher, Martin Liebhaber, Dennis Friedrich, Mario Borgwardt, Katherine A. Mazzio, Patrick Amsalem, Minh Hai Nguyen, Benjamin Daiber, Mathias Mews, Jörg Rappich, Florian Ruske, Rainer Eichberger, Bruno Ehrler, and Klaus Lips. J. Phys. Chem. C 124, 51, 27867-27881. Publication Date (Web): December 11, 2020.
  • Is Disorder Beneficial in Perovskite-Sensitized Solid-State Upconversion? The Role of DBP Doping in Rubrene. Sarah Wieghold, Alexander S. Bieber, Zachary A. VanOrman, Arianna Rodriguez, and Lea Nienhaus*. J. Phys. Chem. C 124, 33, 18132-18140. Publication Date (Web): July 22, 2020.
  • Structural Dynamics of Two-Dimensional Ruddlesden–Popper Perovskites: A Computational Study. Magnus B. Fridriksson, Sudeep Maheshwari, and Ferdinand C. Grozema*. J. Phys. Chem. C 124, 40, 22096-22104. ACS AuthorChoice. Publication Date (Web): September 15, 2020.
  • Hexagonal Boron Nitride Encapsulation of Organic Microcrystals and Energy-Transfer Dynamics. Wangxiang Li, Hao Tian, Jeremiah van Baren, Adam Berges, Mashael M. Altaiary, Erfu Liu, Elena Bekyarova, Chun Hung Lui, Jianlin Liu, and Christopher J. Bardeen*. J. Phys. Chem. C 124, 38, 21170-21177. Publication Date (Web): August 21, 2020.
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