Physical Chemistry Chemical Physics最新文献

{"title":"The Spectrum from van der Waals to Donor–Acceptor Bonding","authors":"Daniela Rodrigues Silva, Lucas de Azevedo Santos, Matthijs A.J.G. Koning, Célia Fonseca Guerra, Trevor A. Hamlin","doi":"10.1039/d5cp01533b","DOIUrl":"https://doi.org/10.1039/d5cp01533b","url":null,"abstract":"The chemical bond between halogenated borane Lewis acids and a variety of Lewis bases of varying strength (from strong to weak: NH₃, MeCN, N₂) has been quantum chemically explored using dispersion-corrected relativistic density functional theory (DFT) at ZORA-BLYP-D3(BJ)/TZ2P. We propose a unified picture of chemical bonding that exists on a continuum where weaker van der Waals (commonly referred to as “noncovalent”) interactions at longer distances transition into stronger donor–acceptor (commonly referred to as covalent) complexes at shorter distances. Remarkably, depending on the strength of the Lewis base, an intermediate regime is observed where both van der Waals and donor–acceptor complexes are observed. This study demonstrates that a covalent component is ubiquitous across the bonding spectrum, with the stability of the minima on potential energy surfaces determined by the strength of the Lewis acid-base interaction. We advocate for classifying Lewis pairs as strongly or weakly bonded based on whether their covalent interaction is strong enough to overcome the geometric penalty of bond formation. This work elucidates the fuzzy boundaries within chemical bonding.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"239 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145754","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multicolor luminescence of supramolecular compounds based on mixed Dy–lanthanide complexes and cucurbit[6]uril for logic gate operation and WLED application","authors":"Mariana I. Rakhmanova, Taisiya S. Sukhikh, Irina V. Andrienko, Ekaterina A. Kovalenko","doi":"10.1039/d5cp01338k","DOIUrl":"https://doi.org/10.1039/d5cp01338k","url":null,"abstract":"The supramolecular approach was used to produce supramolecular assemblies exhibiting multicolor emission. Aquanitrato complexes of di- (<strong>1–8</strong>) and tri- (<strong>9–12</strong>) component lanthanides were obtained as supramolecular compounds with the organic macrocyclic cavitand cucurbit[6]uril as crystals. The X-ray diffraction study demonstrated that these compounds have the following compositions: <strong>1–8</strong> [{Ln<small><sup>1</sup></small><small><sub><em>m</em></sub></small>Ln<small><sup>2</sup></small><small><sub><em>n</em></sub></small>(H<small><sub>2</sub></small>O)<small><sub>5</sub></small>(NO<small><sub>3</sub></small>)}<small><sub>2</sub></small>CB[6]](NO<small><sub>3</sub></small>)<small><sub>4</sub></small>·HNO<small><sub>3</sub></small>·<em>x</em>H<small><sub>2</sub></small>O (Ln<small><sup>1</sup></small> = Dy; Ln<small><sup>2</sup></small> = Pr(<strong>1</strong>), Nd(<strong>2</strong>), Sm(<strong>3</strong>), Gd(<strong>4</strong>), Tb(<strong>5</strong>), and Ho(<strong>6</strong>)), and 2[Ln<small><sup>1</sup></small><small><sub><em>m</em></sub></small>Ln<small><sup>2</sup></small><small><sub><em>n</em></sub></small>(H<small><sub>2</sub></small>O)<small><sub>8</sub></small>] (NO<small><sub>3</sub></small>)<small><sub>3</sub></small>·CB[6]·2HNO<small><sub>3</sub></small>·<em>y</em>H<small><sub>2</sub></small>O (Ln<small><sup>1</sup></small> = Dy; Ln<small><sup>2</sup></small> = Er(<strong>7</strong>) and Yb(<strong>8</strong>)); and <strong>9–12</strong> [{Dy<small><sub><em>m</em></sub></small>Eu<small><sub><em>n</em></sub></small>Tb<small><sub><em>k</em></sub></small>(H<small><sub>2</sub></small>O)<small><sub>5</sub></small>(NO<small><sub>3</sub></small>)}<small><sub>2</sub></small>CB[6]](NO<small><sub>3</sub></small>)<small><sub>4</sub></small>·HNO<small><sub>3</sub></small>·<em>z</em>H<small><sub>2</sub></small>O. The luminescent properties of compounds <strong>1–12</strong> were investigated. The color purity of compounds <strong>4</strong>, <strong>6</strong>, and <strong>11</strong> is very close to zero, so it is well-suited for white-light generation and can be used for WLED applications. A warm white LED device was fabricated by combining the supramolecular compound <strong>4</strong> and a UV LED chip (365 nm) at a voltage of 3.0 V; the CIE, CCT and CP were (0.282; 0.310), 8891 K and 9%, respectively. Based on complex <strong>11</strong>, the diagram of logic gate operation is shown. We propose that complexes can be an efficient tool for creating optical logic gates based on tunable luminescence transformation-dependent emission. Benefitting from excitation-dependent emission in one luminescent complex, a new three-input logic gate was obtained. Therefore, not only does this work provide detailed insights into the interesting fields of mixed lanthanide-based compounds and tunable emission, but it also confirms that aquanitrato complexes can be a new platform for constructing smart luminescent sy","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"18 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of Heteroatom Incorporation on Electronic Communication in Metal Chalcogenide Nanoclusters","authors":"Shana Havenridge, Julia Laskin, Cong Liu, Xilai Li","doi":"10.1039/d5cp00946d","DOIUrl":"https://doi.org/10.1039/d5cp00946d","url":null,"abstract":"Metal chalcogenide nanoclusters (NC), specifically of type TM<small>₆</small>E<small>₈</small>(L)<small>₆</small> (TM = transition metal, E = chalcogen, L = ligand) have garnered attention in recent years as promising catalysts and biosensors due to their remarkable electronic and magnetic properties, as well as their ability to undergo supramolecular assembly into 2D materials. Furthermore, the undercoordinated metal chalcogenide NCs have shown distinct surface reactivity, which is strongly dependent on the composition of the TM core. The differences in the reactivity of the undercoordinated species have been attributed to differences in ligand binding energies. Although ligand binding energies in homometallic NCs have been extensively studied, little is known about the effect of heteroatoms in the core on the strength of ligand binding in metal chalcogenide NCs. In this work, we provide new insights into this topic by examining the relative stability of [Co<small>_6-x</small>Fe<small>_x</small>S<small>₈</small>(PEt<small>₃</small>)<small>₆</small>]<small>⁺</small> (x = 0-6) NCs towards fragmentation using collision energy-resolved collision-induced dissociation (CID) experiments. We observe that the ligand binding energy gradually decreases until four Fe atoms are incorporated into the cluster core and then gradually increases until all the Co atoms are replaced with Fe. This experimental trend was compared with the results of density functional theory (DFT) calculations, which indicate drastic differences in the electronic communication between Co and Fe atoms in the TM6 core. By understanding the effect of heteroatom incorporation on ligand binding energy to the NC core, our work provides important insights into the effect of atom-by-atom substitution on the functional properties of tunable nanostructures.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"25 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144153834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A comprehensive statistical approach to identify correct types of cross-peaks based on their symmetric feature","authors":"Linchen Xie, Anqi He, Limin Yang, Yukihiro Ozaki, Isao Noda, Yizhuang Xu, Kun Huang","doi":"10.1039/d5cp00297d","DOIUrl":"https://doi.org/10.1039/d5cp00297d","url":null,"abstract":"Cross-peak signature patterns in two-dimensional (2D) asynchronous spectra are a useful tool for revealing the deeper physicochemical characteristics of intermolecular interactions. Various interferences such as noise can cause problems in recognizing the correct type of cross-peaks. The symmetrical characteristics of the cross-peaks may offer an intrinsic criterion for distinguishing between different types of cross-peaks. When intermolecular interaction only brings about a shift in the characteristic peak of a solute, we found that the resultant cross-peaks possess a mirror symmetry. However, such a symmetry may not be directly observable in the 2D asynchronous spectrum covered by severe noise. To solve this problem, a comprehensive approach to identify the symmetry is developed. Firstly, a method to locate the mirror is proposed. Then, the Kolmogorov–Smirnov test and Bayesian analysis are used to obtain the probability of the existence of mirror symmetry in the cross-peak group. The approach is showcased in three model systems and a real-world example (the benzene/I<small>₂</small> system), which demonstrates that the approach is helpful in assigning the correct type of cross-peak under difficult situations.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"85 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144153830","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Silicon oxide nanoparticles grown on graphite by co-deposition of the atomic constituents","authors":"Steffen Friis Holleufer, Alfred Hopkinson, Duncan S. Sutherland, Zheshen Li, Jeppe Vang Lauritsen, Liv Hornekaer, Andrew Cassidy","doi":"10.1039/d5cp01089f","DOIUrl":"https://doi.org/10.1039/d5cp01089f","url":null,"abstract":"Nanoscale silicate dust particles are the most abundant refractory component observed in the interstellar medium and are thought to play a key role in catalysing the formation of complex organic molecules in the star forming regions of space. We present a method to synthesise a laboratory analogue of nanoscale silicate dust particles on highly oriented pyrolytic graphite (HOPG) substrates by co-deposition of the atomic constituents. The resulting nanoparticulate films are sufficiently thin and conducting to allow for surface science investigations, and are characterised here, in situ under UHV, using X-ray photoelectron spectroscopy, near-edge X-ray absorption atomic fine spectroscopy and scanning tunnelling microscopy, and, ex situ, using scanning electron microscopy. We compare SiOx film growth with and without the use of atomic O beams during synthesis and conclude that exposure of the sample to atomic O leads to homogeneous films of interconnected nanoparticle networks. The networks covers the graphite substrate and demonstrate superior thermal stability, up to 1073 K, when compared to oxides produced without exposure to atomic O. In addition, control over the flux of atomic O during growth allows for control of the average oxidation state of the film produced. Photoelectron spectroscopy measurements demonstrate that fully oxidised films have an SiO2 stoichiometry very close to bulk SiO2 and scanning tunnelling microscopy images show the basic cluster building unit to have a radius of approximately 2.5 nm. The synthesis of SiOx films with adjustable stoichiometry and suitable for surface science experiments that require conducting substrates will be of great interest to the astrochemistry community, and will allow for nanoscale-investigation of the chemical processes thought to be catalysed at the surface of dust grains in space.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"185 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A computational study of the formation of surface methoxy species in H-SSZ-13 and H-SAPO-34 frameworks","authors":"Gabriel Bramley, Oscar van Vuren, Andrew J Logsdail","doi":"10.1039/d5cp00256g","DOIUrl":"https://doi.org/10.1039/d5cp00256g","url":null,"abstract":"The methanol-to-hydrocarbons (MTH) reaction on zeolites is vital for the production of higher-order hydrocarbons from sustainable C<small>₁</small> feedstocks. The formation of the first C-C bond is a key initiation step in the MTH reaction, and surface methoxy species (SMS) are important in many of the proposed pathways to form C<small>₂</small> species, but the reaction steps that form SMS in zeotype frameworks remain uncertain. Therefore, we have investigated the reaction energies and activation barriers for SMS formation pathways in zeotype frameworks using accurate <em>ab initio</em> simulations, considering isostructural aluminosilicate and aluminophospate frameworks to allow scrutiny of how catalyst composition affects reaction steps. The SMS precursors dimethyl ether (DME) and trimethyl oxonium (TMO) are found to form directly from methanol with relatively low barriers (62 kJ mol<small>⁻¹</small> and 94 kJ mol<small>⁻¹</small>, respectively); and the protonated forms of DME and CH<small>₃</small>OH, as well as TMO, form SMS with low kinetic barriers (36-48 kJ mol<small>⁻¹</small>). The activation barriers for processes occurring on H-SAPO-34 are consistently 10-23 kJ mol<small>⁻¹</small> higher than reactions on the isostructural H-SSZ-13 framework, indicating that only kinetic differences exist between aluminosilicates and aluminophosphates for SMS formation. Significant differences are identified in the activation energies for reactions that proceed through the front-side attack S<small>_N</small>2 when compared to the back-side attack S<small>_N</small>2 mechanisms, with reduced electron donation to the carbocation intermediate leading to instability of the front-side attack S<small>_N</small>2 intermediate. Overall, the direct framework methylation step <em>via</em> protonated methanol has the lowest kinetic barrier, which agrees with experimental observations of direct SMS formation, and this result provides a foundation for further mechanistic investigations.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"39 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Achieving Tunable Adsorption Selectivity and Sensitivity of Boridenes for Gas Detection with Surface O-termination Engineering","authors":"Sateng Li, Haoliang Liu, Yuxuan Hou, Qin Jiang, Kai Wu, Yonghong Cheng, Bing Xiao","doi":"10.1039/d5cp01100k","DOIUrl":"https://doi.org/10.1039/d5cp01100k","url":null,"abstract":"This study utilizes density functional theory (DFT) to explore the potential of use Boridenes as gas-sensing materials for common organic and inorganic gases, including C2H2, C2H4, C2H6, C4F7N, CH2O, CH4, CO, CO2, H2, H2O, N2, NO, NO2, O2, SF6 and SO2. The adsorption atomic configurations and adsorption energies are calculated for all gas species in Mo4/3B2-Mo4/3B2O2 series, elucidating the change of adsorption mechanism from chemisorption for the bare Mo4/3B2 monolayer to the physisorption in the case of Mo4/3B2O2 monolayer, and also manifesting the significance of O-terminations on the adsorption properties of Boridenes for the considered gas species. In addition, the gas-sensing parameters including recovery time, sensitivity and selectivity are evaluated for Mo4/3B2 and Mo4/3B2Ox monolayers to demonstrate the tunable sensing performance of Boridenes for target gas species by tailoring the surface functional groups. The results reveal that the bare Mo4/3B2 show the promising reusability and selectivity for detecting insulating gases (SF6 and C4F7N) and their dissociated products (SO2 and CO). While the presence of O-terminations greatly improves the recovery time (10-8 s), sensitivity (100.0%) and selectivity (exclusive NO adsorption) of sensing NO pollutants in the air for Mo4/3B2O2 monolayer. Overall, this work is expected to benefit the research and development of gas-sensing materials based on Boridenes for various application scenarios in the future experimental study.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"43 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145752","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First principles potentials for reactions on molecular crystals: modelling the interstellar H + CO reaction.","authors":"Terry J Frankcombe","doi":"10.1039/d5cp00217f","DOIUrl":"https://doi.org/10.1039/d5cp00217f","url":null,"abstract":"<p><p>The potential energy barriers for successive hydrogenation of carbon monoxide mean that the observed interstellar abundances of small hydrogenated carbon molecules such as formaldehyde cannot be accounted for by gas phase hydrogenation reactions. Consequently these reactions are thought to occur on the surface of ice grains in the interstellar medium. Aspects of the interaction of hydrogen atoms with cold CO ice surfaces are examined here by means of molecular dynamics calculations. In order to undertake these calculations a new and flexible approach to developing potential energy surfaces for gas-surface processes (including with ions as reactants) on finite temperature molecular crystals is developed. Interaction energies are calculated by a deep learned potential from electronic structure theory calculations incorporating extended CO ice structures, including under periodic boundary conditions. Direct hydrogenation on the CO ice surface requires energies higher than those typically available in the interstellar medium. Hydrogen atoms are readily adsorbed onto ice surfaces to feed catalytic hydrogenation processes within and on the icy grain, but do not directly reflect the temperature dependence of reactivity observed experimentally.</p>","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cooperative adsorption performance of topological nodal surface fermions and excess electrons in a three-dimensional topological electride Ba3CrN3","authors":"Zhizuo Liu, Ying Liu, Zihan Li, Xuefang Dai, Xiaoming Zhang, Guodong Liu","doi":"10.1039/d5cp00563a","DOIUrl":"https://doi.org/10.1039/d5cp00563a","url":null,"abstract":"Electrides and topological materials have individually been identified as promising candidates for use in electrochemical catalysis. Recently, the concept of topological electrides has emerged, where the topological fermions arise from the excess electrons characteristic of electrides, highlighting their potential in catalytic processes. In this work, we report that the topological electride Ba<small>₃</small>CrN<small>₃</small>, hosting nodal surface fermions near the Fermi level, exhibits excellent adsorption properties—a critical requirement for catalytic applications. The bands forming the nodal surface are predominantly derived from the excess electrons located at the corners of the Ba<small>₃</small>CrN<small>₃</small> unit cell. Due to the extensive projection of the nodal surface onto the Fermi level, Ba<small>₃</small>CrN<small>₃</small> demonstrates robust adsorption characteristics, even under external biaxial strain up to 6%. Moreover, by doping holes to neutralize excess electrons, its adsorption ability is suppressed, confirming that these excess electrons play a pivotal role in the adsorption process. Overall, we reveal that the exceptional adsorption properties stem from the interplay between its topological features and the presence of excess electrons, providing insights into its catalytic potential.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"56 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145680","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Probing intermediate folding patterns determined the carbon skeleton construction mechanism of cyathane diterpene","authors":"Kangwei Xu, Zhekai Xie, Xu Kang, Ruibo Wu","doi":"10.1039/d5cp01137j","DOIUrl":"https://doi.org/10.1039/d5cp01137j","url":null,"abstract":"Cyathane diterpenes exhibit a range of notable pharmacological activities. These compounds share a common skeleton, the cyathin tricyclic core, whose synthesis is intricate, involving carbon cation rearrangement that results in the formation of three carbon rings and multiple stereocenters. Through DFT calculations, we found that the folding pattern of intermediates significantly impacts the reaction. Firstly, the A ring adopts a chair-like conformation, which is more favorable than the boat-like conformation. Secondly, a hydrogen atom attached to the terminal double bond can adopt either an up or down conformation, leading to different mechanisms for B expansion and C ring formation: concerted or stepwise, respectively. The stepwise mechanism, induced by the up conformation, is energetically more favorable than the down conformation. Further analysis of bond order, key distances and natural bond orbital revealed that the transition from the concerted mechanism to the stepwise mechanism is due to van der Waals repulsion between two H atoms attached to the reactive carbons involved in C ring formation. Finally, during QM(GFN2-xTB)/MM MD simulations, it was observed that the A ring transitions from a boat-like conformation to a chair-like conformation, and the H-down conformation switches to the H-up conformation within the cyathane synthase pocket. These transitions are consistent with the preferences observed in gas-phase calculations. This research reveals that distinct conformations give rise to different reaction mechanisms, an intriguing finding that provides deeper insight into the biosynthetic pathways of natural compounds and offers theoretical guidance for their biomimetic synthesis.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"34 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145756","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}