Physical Sciences and Mathematics Commons^™

Supplemental Information. Theoretical Rotational And Vibrational Spectral Data For The Hypermagnesium Oxide Species Mg2o And Mg2o+, Athena R. Flint, Brent R. Westbrook, Ryan C. Fortenberry

Faculty and Student Publications

Tables to accompany a forthcoming article in the journal ChemPhysChem.

Gas-Phase Formation And Spectroscopic Characterization Of The Disubstituted Cyclopropenylidenes C-C3(C2h)2, C-C3(Cn)2, And C-C3(C2h)(Cn), Athena R. Flint, Alexandria G. Watrous, Brent R. Westbrook, Dev J. Patel, Ryan C. Fortenberry

Faculty and Student Publications

Aims. The detection of c-C3HC2H and possible future detection of c-C3HCN provide new molecules for reaction chemistry in the dense ISM where R-C2 and R-CN species are prevalent. Determination of chemically viable c-C3HC2H and c-C3HCN derivatives and their prominent spectral features can accelerate potential astrophysical detection for this chemical family. This work will characterize three such derivatives: c-C3(C2H)2, c-C3(CN)2, and c-C3(C2H)(CN).

Methods. Interstellar reaction pathways of small carbonaceous species are well-replicated through quantum chemical means. Highly-accurate cc-pVX Z-F12/CCSD(T)-F12 (X =D,T) calculations generate the energetics of chemical formation pathways as well as the basis for quartic force field and …

Preparation Of Methanediamine (Ch2(Nh2)2)—A Precursor To Nucleobases In The Interstellar Medium, Joshua H. Marks, Jia Wang, Ryan C. Fortenberry, Ralf I. Kaiser

Faculty and Student Publications

Although methanediamine (CH2(NH2)2) has historically been the subject of theoretical scrutiny, it has never been isolated to date. Here, we report the preparation of methanediamine (CH2(NH2)2)—the simplest diamine. Low-temperature interstellar analog ices composed of ammonia and methylamine were exposed to energetic electrons which act as proxies for secondary electrons produced in the track of galactic cosmic rays. These experimental conditions, which simulate the conditions within cold molecular clouds, . result in radical formation and initiate aminomethyl (ĊH2NH2) and amino (NH2) radical chemistry. Exploiting tunable photoionization reflectron time-of-flight mass spectrometry (PI-ReToF-MS) to make isomer-specific assignments, methanediamine was identified in the gas …

The Spectral Features And Detectability Of Small, Cyclic Silicon Carbide Clusters, Christopher M. Sehring, C. Zachary Palmer, Brent R. Westbrook, Ryan C. Fortenberry

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Rovibrational spectral data for several tetra-atomic silicon carbide clusters (TASCCs) are computed in this work using a CCSD(T)-F12b/cc-pCVTZ-F12 quartic force field. Accurate theoretical spectroscopic data may facilitate the observation of TASCCs in the interstellar medium which may lead to a more complete understanding of how the smallest silicon carbide (SiC) solids are formed. Such processes are essential for understanding SiC dust grain formation. Due to SiC dust prevalence in the interstellar medium, this may also shed light on subsequent planetary formation. Rhomboidal Si2C2 is shown here to have a notably intense (247 km mol−1) anharmonic vibrational frequency at 988.1 cm−1 …

Experimental Identification Of Aminomethanol (Nh2ch2oh)—The Key Intermediate In The Strecker Synthesis, Santosh K. Singh, Cheng Zhu, Jesse La Jeunesse, Ryan C. Fortenberry, Ralf I. Kaiser

Faculty and Student Publications

The Strecker Synthesis of (a)chiral α-amino acids from simple organic compounds, such as ammonia (NH3), aldehydes (RCHO), and hydrogen cyanide (HCN) has been recognized as a viable route to amino acids on primordial earth. However, preparation and isolation of the simplest hemiaminal intermediate – the aminomethanol (NH2CH2OH)– formed in the Strecker Synthesis to even the simplest amino acid glycine (H2NCH2COOH) has been elusive. Here, we report the identification of aminomethanol prepared in low-temperature methylamine (CH3NH2) – oxygen (O2) ices upon exposure to energetic electrons. Isomer-selective photoionization time-of-flight mass spectrometry (PI-ReTOF-MS) facilitated the gas phase detection of aminomethanol during the temperature …

Theoretical Spectra And Energetics For C-C3hc2h, L-C5h2, And Bipyramidal D3h C5h2, Alexandria G. Watrous, Brent R. Westbrook, Ryan C. Fortenberry

Faculty and Student Publications

The recent astronomical detection of c-C3HC2H and l-C5H2 has led to increased interest in C5H2 isomers and their relative stability. The present work provides the first complete list of anharmonic vibrational spectral data with infrared intensities for three such isomers as well as including the first set of rotational data for the bipyramidal C5H2 isomer allowing for these molecules to serve as potential tracers of interstellar carbon. All three isomers have fundamental vibrational frequencies with at least one notably intense fundamental frequency. The l-C5H2 isomer has, by far, the highest intensities out of the three isomers at 2076.3 cm−1 (738 …

Labeling Microplastics With Fluorescent Dyes For Detection, Recovery, And Degradation Experiments, Zhiqiang Gao, Kendall Wontor, James V. Cizdziel

Faculty and Student Publications

Staining microplastics (MPs) for fluorescence detection has been widely applied in MP analyses. However, there is a lack of standardized staining procedures and conditions, with different researchers using different dye concentrations, solvents, incubation times, and staining temperatures. Moreover, with the limited types and morphologies of commercially available MPs, a simple and optimized approach to making fluorescent MPs is needed. In this study, 4 different textile dyes, along with Nile red dye for comparison, are used to stain 17 different polymers under various conditions to optimize the staining procedure. The MPs included both virgin and naturally weathered polymers with different sizes …

On Airborne Tire Wear Particles Along Roads With Different Traffic Characteristics Using Passive Sampling And Optical Microscopy, Single Particle Sem/Edx, And Μ-Atr-Ftir Analyses, Zhiqiang Gao, James V. Cizdziel, Kendall Wontor, Carly Clisham, Kaylea Focia, Juanita Rausch, David Jaramillo-Vogel

Faculty and Student Publications

Tire wear particles (TWPs) are a major category of microplastic pollution produced by friction between tires and road surfaces. This non-exhaust particulate matter (PM) is transported through the air and with runoff leading to environmental pollution and health concerns. Here, we collected airborne PM along paved roads with different traffic volumes and speeds using Sigma-2 passive samplers. Particles entering the samplers deposit onto substrates for analysis, or, as we modified it, directly into small (60 ml) separatory funnels, which is particularly useful with high particle loads, where a density separation aids in isolating the microplastics. We quantified putative TWPs (∼10–80 …

The Formation Of Monosubstituted Cyclopropenylidene Derivatives In The Interstellar Medium Via Neutral-Neutral Reaction Pathways, Athena R. Flint, Ryan C. Fortenberry

Faculty and Student Publications

Five substituted cyclopropenylidene derivatives (c-C3HX, X = CN, OH, F, NH2), all currently undetected in the interstellar medium (ISM), are found herein to have mechanistically viable, gas-phase formation pathways through neutral-neutral additions of ·X onto c-C3H2. The detection and predicted formation mechanism of c-C3HC2H introduces a need for the chemistry of c-C3H2 and any possible derivatives to be more fully explored. Chemically accurate CCSD(T)-F12/cc-pVTZ-F12 calculations provide exothermicities of additions of various radical species to c-C3H2, alongside energies of submerged intermediates that are crossed to result in product formation. Of the novel reaction mechanisms proposed, the addition of the cyano radical …

Mercury Methylation Potentials In Sediments Of An Ancient Cypress Wetland Using Species-Specific Isotope Dilution Gc-Icp-Ms, Derek D. Bussan, Chris Douvris, James V. Cizdziel

Faculty and Student Publications

Wetlands are of a considerable environmental value as they provide food and habitat for plants and animals. Several important chemical transformations take place in wetland media, including the conversion of inorganic mercury (Hg) to monomethylmercury (MeHg), a toxic compound with a strong tendency for bioconcentration. Considering the fact that wetlands are hotspots for Hg methylation, we investigated, for the first time, Hg methylation and demethylation rates in an old growth cypress wetland at Sky Lake in the Mississippi Delta. The Sky Lake ecosystem undergoes large-scale water level fluctuations causing alternating periods of oxic and anoxic conditions in the sediment. These …

Spectral Signatures Of Hydrogen Thioperoxide (Hosh) And Hydrogen Persulfide (Hssh): Possible Molecular Sulfur Sinks In The Dense Ism, Charles Z. Palmer, Ryan C. Fortenberry, Joseph S. Francisco

Faculty and Student Publications

For decades, sulfur has remained underdetected in molecular form within the dense interstellar medium (ISM), and somewhere a molecular sulfur sink exists where it may be hiding. With the discovery of hydrogen peroxide (HOOH) in the ISM in 2011, a natural starting point may be found in sulfur-bearing analogs that are chemically similar to HOOH: hydrogen thioperoxide (HOSH) and hydrogen persulfide (HSSH). The present theoretical study couples the accuracy in the anharmonic fundamental vibrational frequencies from the explicitly correlated coupled cluster theory with the accurate rotational constants provided by canonical high-level coupled cluster theory to produce rovibrational spectra for use …

Raman Spectroscopic And Quantum Chemical Investigation Of The Pyridine-Borane Complex And The Effects Of Dative Bonding On The Normal Modes Of Pyridine, Ethan C. Lambert, Benjamin W. Stratton, Nathan I. Hammer

Faculty and Student Publications

The pyridine-borane (PyBH3) complex was analyzed by Raman vibrational spectroscopy and density functional theory to elucidate its structural and vibrational properties and to compare these with those for neat pyridine (Py). The borane-nitrogen (BN) bond length, the BN dative bond stretching frequency, and the effects of dative-bonded complex formation on Py are presented. Rather than having a single isolated stretching motion, the complex exhibits multiple BN dative bond stretches that are coupled to Py's vibrations. These modes exhibit large shifts that are higher in energy relative to neat Py, similar to previous observations of Py/water mixtures. However, significantly higher charge …

Valence-, Dipole-And Quadropole-Bound Electronically Excited States Of Closed-Shell Anions Formed By Deprotonation Of Cyano-And Ethynyl-Disubstituted Polycyclic Aromatic Hydrocarbons, Marie E. Strauss, Taylor J. Santaloci, Ryan C. Fortenberry

Faculty and Student Publications

Dicyano-functionalized benzene and naphthalene anion derivatives exhibit a relatively rich population of electronically excited states in stark contrast to many assumptions regarding the photophysics of anions in general. The present work has quantum chemically analyzed the potential electronically excited states of closed-shell anions created by replacing hydrogen atoms with valence-bound lone pairs in benzene and naphthalene difunctionalized with combinations of-CN and-C2H. Dicyanobenzene anion derivatives can exhibit dipole-bound excited states as long as the cyano groups are not in para position to one another. This also extends to cyanoethynylbenzene anions as well as deprotonated dicyano-and cyanoethynylnaphthalene anion derivatives. Diethynyl functionalization is …

Near-Infrared Unsymmetrical Squaraine Core-Based Sensitizers For Co-Sensitized High-Photocurrent Dye-Sensitized Solar Cells, Jonathon Watson, Roberta R. Rodrigues, Jared H. Delcamp

Faculty and Student Publications

Increased conversion of near-infrared (NIR) photons to electricity is needed to improve dye-sensitized solar cells (DSCs). Here, we report two squaraine dyes (RR13 and RR14) with unsymmetrical cores as NIR dyes in DSCs. Both dyes feature a conjugated indolizine donor with an indoline donor on the opposite side of the squaraine core. The dyes are studied via absorption spectroscopy, computational interrogation, and electrochemical analysis. The use of the strongly donating indolizine donor results in NIR photon-to-current conversion extending beyond 800 nm on TiO2 in DSC devices. The DSC devices were characterized by current-voltage curves, incident photon-to-current conversion efficiency measurements, and …

Synthesis Of Methanediol [Ch2(Oh)2]: The Simplest Geminal Diol, Cheng Zhu, N. Fabian Kleimeier, Andrew M. Turner, Santosh K. Singh, Ryan C. Fortenberry, Ralf I. Kaiser

Faculty and Student Publications

Geminal diols—organic molecules carrying two hydroxyl groups at the same carbon atom—have been recognized as key reactive intermediates by the physical (organic) chemistry and atmospheric science communities as fundamental transients in the aerosol cycle and in the atmospheric ozonolysis reaction sequence. Anticipating short lifetimes and their tendency to fragment to water plus the aldehyde or ketone, free geminal diols represent one of the most elusive classes of organic reactive intermediates. Here, we afford an exceptional glance into the preparation of the previously elusive methanediol [CH2(OH)2] transient—the simplest geminal diol—via energetic processing of low-temperature methanol–oxygen ices. Methanediol was identified in the …

Anharmonic Vibrational Frequencies Of Water Borane And Associated Molecules, Brent R. Westbrook, Ryan C. Fortenberry

Faculty and Student Publications

Water borane (BH3 OH2 ) and borinic acid (BH2 OH) have been proposed as intermediates along the pathway of hydrogen generation from simple reactants: water and borane. However, the vibrational spectra for neither water borane nor borinic acid has been investigaged experimen-tally due to the difficulty of isolating them in the gas phase, making accurate quantum chemical predictions for such properties the most viable means of their determination. This work presents theoretical predictions of the full rotational and fundamental vibrational spectra of these two poten-tially application-rich molecules using quartic force fields at the CCSD(T)-F12b/cc-pCVTZ-F12 level with additional corrections included for …

Are Rural And Small Community Aerated Wastewater Stabilization Ponds A Neglected Source Of Microplastic Pollution?, Zhiqiang Gao, James V. Cizdziel, Kendall Wontor, Haitao Lu

Faculty and Student Publications

Wastewater treatment systems collect and treat sewage that includes microplastics (MPs). However, we are not aware of any studies on the occurrence and distribution of MPs in wastewater stabilization ponds (WSPs), which serve small communities worldwide. Here, we characterized MPs (~45 µm–5 mm) in an aerated WSP serving ~500 houses and an adjacent lake. Putative MPs were most abundant in duckweed (Lemna minor) and sludge (75 ± 22 and 12.8 ± 3.1 particles/g, respectively: ±1 standard deviation (SD), n = 6, dry weight). In the water, average concentrations (particles/L ± 1 SD, n = 6) were highest in the pond …

Further Astrochemical Insights From Bond Strengths Of Small Molecules Containing Atoms From The First Three Rows Of The Periodic Table, Edmund S. Doerksen, Ryan C. Fortenberry

Faculty and Student Publications

The atoms contributing to the strongest “single bonds” on the periodic table do not continue to produce the strongest “double bonds” or “triple bonds.” In fact, the opposite appears to be the case. This quantum chemical examination of nominal X = Y and X ≡ Y bonds in model molecules of atoms from the first three rows of the periodic table shows that the strongest “double bond” is in formaldehyde once the astrophysically-depleted Be and B atoms are removed from consideration. The strongest “triple bond” is a close match between acetylene and N2. However, these results indicate that astrophysical regions …

Swir Emissive Rosindolizine Dyes With Nanoencapsulation In Water Soluble Dendrimers, Satadru Chatterjee, William E. Meador, Cameron Smith, Indika Chandrasiri, Mohammad Farid Zia, Jay Nguyen, Austin Dorris, Alex Flynt, Davita L. Watkins, Nathan I. Hammer, Jared H. Delcamp

Faculty and Student Publications

Shortwave infrared (SWIR) emission has great potential for deep-tissuein vivobiological imaging with high resolution. In this article, the synthesis and characterization of two new xanthene-based RosIndolizine dyes codedPhRosIndz andtolRosIndz is presented. The dyes are characterizedviafemtosecond transient absorption spectroscopy as well as steady-state absorption and emission spectroscopies. The emission of these dyes is shown in the SWIR region with peak emission at 1097 nm.TolRosIndz was encapsulated with an amphiphilic linear dendritic block co-polymer (LDBC) coded 10-PhPCL-G3 with high uptake yield. Further, cellular toxicity was examinedin vitrousing HEK (human embryonic kidney) cells where a >90% cell viability was observed at practical concentrations …

Tracking The Amide I And Αcoo− Terminal Ν(C=O) Raman Bands In A Family Of L-Glutamic Acid-Containing Peptide Fragments: A Raman And Dft Study, Ashley E. Williams, Nathan I. Hammer, Ryan C. Fortenberry, Dana N. Reinemann

Faculty and Student Publications

The E-hook of β-tubulin plays instrumental roles in cytoskeletal regulation and function. The last six C-terminal residues of the βII isotype, a peptide of amino acid sequence EGEDEA, extend from the microtubule surface and have eluded characterization with classic X-ray crystallographic techniques. The band position of the characteristic amide I vibration of small peptide fragments is heavily dependent on the length of the peptide chain, the extent of intramolecular hydrogen bonding, and the overall polarity of the fragment. The dependence of the E residue’s amide I ν(C=O) and the αCOO− terminal ν(C=O) bands on the neighboring side chain, the length …

Linear Discriminant Analysis Based On Gas Chromatographic Measurements For Geographical Prediction Of Usa Medical Domestic Cannabis, Ramia Z. Al Bakain, Yahya S. Al-Degs, James V. Cizdziel, Mahmoud A. Elsohly

Faculty and Student Publications

Fifty four domestically produced cannabis samples obtained from different USA states were quantitatively assayed by GC-FID to detect 22 active components: 15 terpenoids and 7 cannabinoids. The profiles of the selected compounds were used as inputs for samples grouping to their geographical origins and for building a geographical prediction model using Linear Discriminant Analysis. The proposed sample extraction and chromatographic separation was satisfactory to select 22 active ingredients with a wide analytical range between 5.0 and 1,000 μg/mL. Analysis of GC-profiles by Principle Component Analysis retained three significant variables for grouping job (Δ9-THC, CBN, and CBC) and the modest discrimination …

Anodic Dissolution Of Copper In The Acidic And Basic Aluminum Chloride 1-Ethyl-3-Methylimidazolium Chloride Ionic Liquid, Lorlyn Reidy, Chen Wang, Charles L. Hussey

Faculty and Student Publications

The anodic dissolution of copper was investigated at a copper RDE in the Lewis acidic and basic composition regions of the room-temperature AlCl3-EtMeImCl ionic liquid (IL) to assess the utility of chloroaluminate liquids as solvents for the electrochemical machining and electropolishing of copper. In the Lewis acidic IL (60 mol % AlCl3), the dissolution of Cu0 proceeds under mixed kinetic-mass transport control with an exchange current density of 7.00 mA cm-2 at 306 K and an apparent activation free energy of 19.7 kJ mol-1. A formal potential of 0.843 V was obtained for the Cu+/Cu0 reaction from potentiometric measurements. In …

Pathways To Detection Of Strongly-Bound Inorganic Species: The Vibrational And Rotational Spectral Data Of Alh2oh, Hmgoh, Alh2nh2, And Hmgnh2, Alexandria G. Watrous, Megan C. Davis, Ryan C. Fortenberry

Faculty and Student Publications

Small, inorganic hydrides are likely hiding in plain sight, waiting to be detected toward various astronomical objects. AlH2OH can form in the gas phase via a downhill pathway, and the present, high-level quantum chemical study shows that this molecule exhibits bright infrared features for anharmonic fundamentals in regions above and below that associated with polycyclic aromatic hydrocarbons. AlH2OH along with HMgOH, HMgNH2, and AlH2NH2 are also polar with AlH2OH having a 1.22 D dipole moment. AlH2OH and likely HMgOH have nearly unhindered motion of the hydroxyl group but are still strongly bonded. This could assist in gas phase synthesis, where …

Electronically Excited States Of Closed-Shell, Cyano-Functionalized Polycyclic Aromatic Hydrocarbon Anions, Taylor J. Santaloci, Ryan C. Fortenberry

Faculty and Student Publications

Few anions exhibit electronically excited states, and, if they do, the one or two possible excitations typically transpire beyond the visible spectrum into the near-infrared. These few, red-shifted electronic absorption features make anions tantalizing candidates as carriers of the diffuse interstellar bands (DIBs), a series of mostly unknown, astronomically ubiquitous absorption features documented for over a century. The recent interstellar detection of benzonitrile implies that cyano-functionalized polycyclic aromatic hydrocarbon (PAH) anions may be present in space. The presently reported quantum chemical work explores the electronic properties of deprotonated benzene, naphthalene, and anthracene anions functionalized with a single cyano group. Both …

Comprehensive Chromatographic Profiling Of Cannabis From 23 Usa States Marketed For Medical Purposes, Ramia Z. Al Bakain, Yahya S. Al-Degs, James V. Cizdziel, Mahmoud A. Elsohly

Faculty and Student Publications

In this research, cannabis varieties represent 23 USA States were assayed by GC-FID to generate their complex chemical profiles informative for plants clustering. Results showed that 45 cannabinoids and terpenoids were quantified in all plant samples, where 8 cannabinoids and 18 terpenoids were identified. Among organics, Δ9-THC, CBN (cannabinoids) and Fenchol (terpenoid) not only showed the highest levels overall contents, but also were the most important compounds for cannabis clustering. Among States, Washington, Oregon, California and Hawaii have the highest cannabis content. GC-FID data were subjected to PCA and HCA to find (1) the variations among cannabis chemical profiles as …

Gut Microbiomes Of Freshwater Mussels (Unionidae) Are Taxonomically And Phylogenetically Variable Across Years But Remain Functionally Stable, Mark Mccauley, Marlène Chiarello, Carla L. Atkinson, Colin R. Jackson

Faculty and Student Publications

Freshwater mussels perform essential ecosystem functions, yet we have no information on how their microbiomes fluctuate over time. In this study, we examined temporal variation in the microbiome of six mussel species (Lampsilis ornata, Obovaria unicolor, Elliptio arca, Fusconaia cerina, Cyclonaias asperata, and Tritogonia verrucosa) sampled from the same river in 2016 and 2019. We examined the taxonomic, phylogenetic, and inferred functional (from 16S rRNA sequences) facets of their microbiome diversity. Significant differences between the two years were identified in five of the six species sampled. However, not all species that exhibited a temporally variable microbiome were functionally distinct across …

Effective Inhibition Of Sars-Cov-2 Entry By Heparin And Enoxaparin Derivatives, Ritesh Tandon, Joshua S. Sharp, Fuming Zhang, Vitor H. Pomin, Nicole M. Ashpole, Dipanwita Mitra, Martin G. Mccandless, Weihua Jin, Hao Liu, Poonam Sharma, Robert J. Linhardt

Faculty and Student Publications

Severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) has caused a pandemic of historic proportions and continues to spread globally, with enormous consequences to human health. Currently there is no vaccine, effective therapeutic, or prophylactic. As with other betacoronaviruses, attachment and entry of SARS-CoV-2 are mediated by the spike glycoprotein (SGP). In addition to its well-documented interaction with its receptor, human angiotensin-converting enzyme 2 (hACE2), SGP has been found to bind to glycosaminoglycans like heparan sulfate, which is found on the surface of virtually all mammalian cells. Here, we pseudotyped SARS-CoV-2 SGP on a third-generation lentiviral (pLV) vector and tested the …

Anharmonic Vibrational Frequencies And Spectroscopic Constants For The Detection Of Ethynol In Space, Jax D. Dallas, Brent R. Westbrook, Ryan C. Fortenberry

Faculty and Student Publications

The ethynol (HCCOH) molecule has recently been shown to be present in simulated astrochemical ices possibly linking it to molecular building blocks for interstellar complex organic molecules like amino acids. The proposed reaction mechanism suggests the simultaneous formation of both ketene and ethynol from mixed carbon monoxide/water ice in simulated interstellar conditions. Rigorous anharmonic spectral data within both the IR and microwave regions are needed for possible detection of ethynol in the interstellar medium. This study provides the first such data for this molecule from high-level quantum chemical computations where experiment is currently lacking. Ethynol has a (Formula presented.) comparable …

Observation Of The Low-Frequency Spectrum Of The Water Trimer As A Sensitive Test Of The Water-Trimer Potential And The Dipole-Moment Surface, Raffael Schwan, Chen Qu, Devendra Mani, Nitish Pal, Gerhard Schwaab, Joel M. Bowman, Gregory S. Tschumper, Martina Havenith

Faculty and Student Publications

© 2020 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. Intermolecular interactions in bulk water are dominated by pairwise and non-pairwise cooperative interactions. While accurate descriptions of the pairwise interactions are available and can be tested by precise low-frequency spectra of the water dimer up to 550 cm−1, the same does not hold for the three-body interactions. Here, we report the first comprehensive spectrum of the water trimer in the frequency region from 70 to 620 cm−1 using helium-nanodroplet isolation and free-electron lasers. By comparison to accompanying high-level quantum calculations, the experimentally observed intermolecular bands can be assigned. …

A Diverse View Of Science To Catalyse Change, César A. Urbina-Blanco, Safia Z. Jilani, Isaiah R. Speight, Michael J. Bojdys, Tomislav Friščić, J. Fraser Stoddart, Toby L. Nelson, James Mack, Renã A.S. Robinson, Emanuel A. Waddell, Jodie L. Lutkenhaus, Murrell Godfrey, Martine I. Abboud, Stephen O. Aderinto, Damilola Aderohunmu, Lučka Bibič, João Borges, Vy M. Dong, Lori Ferrins, Fun Man Fung, Torsten John, Felicia P. L. Lim, Sarah L. Masters, Dickson Mambwe, Pall Thordarson, Maria Magdalena Titirici, Gabriela D. Tormet-González, Miriam M. Unterlass, Austin Wadle, Vivian W. W. Yam, Ying Wei Yang

Faculty and Student Publications

© 2020 Croatian Chemical Society. All rights reserved. Valuing diversity leads to scientific excellence, the progress of science and, most importantly, it is simply the right thing to do. We must value diversity not only in words, but also in actions.