Journal of organic chemistry template

Specific Rotation. Specific optical rotations should be reported for isolated natural products and enantioenriched compounds when sufficient sample is available. Physical State and Melting Point. The description of new compounds should include a statement of whether the isolated material is a crystalline solid, an amorphous solid, a gum, or a liquid.

The color should be reported if it is not colorless or white. A melting point range should be reported for every new crystalline solid product. Melting point ranges may be reported to document the purity of known , but not new, synthesis products see below. Authors are encouraged to report melting point ranges for recrystallized samples of known compounds that were previously reported only in noncrystalline and presumably less pure form.

Infrared and Low-Resolution MS. If infrared and low-resolution mass spectrometric data are reported, only those IR absorptions diagnostic for major functional groups, and only those MS peaks used for structure assignment, should be included in the experimental section.

Whether or not IR bands or low-resolution MS peaks are listed in the experimental section, copies of the spectra may be included in the supporting information. When primarily synthetic work is reported, JOC does not require that a certain minimum level of purity be met for the reported compounds, but it does require that the purity level that has been attained be faithfully documented. Evidence for documenting compound purity should include one or more of the following:. The normal full range of chemical shifts should be displayed usually 0—10 ppm for proton; 0— ppm for carbon.

For new compounds, copies of both proton and carbon NMR spectra are required. The stationary phase, solvent HPLC , detector type, and percentage of total chromatogram integration represented by the product peak should be reported. Alternatively, a copy of the chromatogram may be included in the supporting information. A narrow melting point range is not sufficient by itself to document the purity of a new compound. MS accurate mass HRMS data may be used to support a molecular formula assignment but cannot serve to document compound purity.

The structures of biomacromolecules may be established by providing evidence about sequence and mass. Typically, a sequence will be accompanied by MS data to establish the molecular mass. A copy of a chromatogram, electropherogram, or blot should be placed in the supporting information to document the homogeneity. Reproductions of spectra will be published in the results and discussion section only when concise numerical summaries are inadequate for the discussion.

Articles with a focus on interpretation of spectra, and those in which band shape or fine structure needs to be illustrated, may qualify for this exception. When presentation of spectra is essential, only the pertinent sections, prepared as figures, should be included. Spectra used as adjuncts to the characterization of compounds should be included in the supporting information.

Crystallographic Data. Only data and graphics integral to the discussion should be included in the manuscript file.

If the data are used solely for confirming compound identity or stereochemistry, a statement in the results and Discussion or Experimental Section that the assignment is supported by an X-ray crystallographic structure determination is usually sufficient. For structures refined anisotropically, a thermal ellipsoid plot may be included in the manuscript file if it is useful to support the discussion.

Otherwise, thermal ellipsoid plots, preferably full-page size, should be furnished as a figure in the Supporting Information. When presenting such structures, the ellipsoid contour percent probability level should be reported in the caption. A brief text description of the sample preparation and crystal structure determination should be included, and a paragraph or single table summarizing the crystal parameters and refinement metrics should accompany the thermal ellipsoid plot in the supporting information.

Multi-page tables of atom positions, bond lengths, and bond angles are not needed , because those data are included in the required CIF file see above. If a crystallographic model reproduced or derived from a published structure is illustrated for discussion purposes, a footnote immediately below the figure should clearly cite the source.

Bioassay Data. Alterations to the test method should be clearly noted where the results are presented, and the modified protocol should be described in the supporting information. Regardless of whether a standard or modified method is used, the bioassay description should include the range of concentrations or dosages tested, the number of replicates run at each concentration or dosage, and the statistical treatment or criteria used for drawing conclusions from the data. The reported results should include data for one or more standard test materials whose response to the assay is well documented, and quantitative results should include the standard deviations or ranges of the responses.

It is recommended that samples showing the highest activity be repurified and reassayed to demonstrate that the measured bioactivity is not an artifact of highly active impurities. When computational results are included in a manuscript, complete details of methods and results, reported in sufficient detail to allow other researchers to repeat the computations, should be included either within the article in a Computational Methods section or as Supporting Information.

Graphics of computationally derived models that are not vital to the discussion should be placed in the Supporting Information. The level of theory, basis set, and relevant input parameters should be identified along with the specific program used. The data should include Z-matrices or Cartesian coordinates, grid size for DFT calculations , and computed total energies of target or optimized structures.

Where applicable, the number of imaginary frequencies should be reported to identify stable structures and transition states. Description of specific programs and versions. Policies in this regard are identical with those of several other ACS journals, as summarized in J. A clear exposition of any nonstandard equations and algorithms used and, where feasible, tests of the codes in various limiting cases should also be provided.

Details of the computations. The computed molecular model should be described clearly, possibly with a ChemDraw figure. Final optimized coordinates and keywords are to be provided. For DFT computations, the choice of functional must be justified, or the validation of the functional provided. The choice of basis sets must be explicitly discussed, including any deviation from standard basis sets. Convergence criteria, integration parameters, active space definition in multireference calculations, and, for open-shell systems, the way in which spin states are handled should be mentioned explicitly.

The exact definition of any applied numerical or symmetry constraint should be indicated. Details of the computational results. When relevant to the results of the study, data such as absolute energies, gross orbital populations, atomic spin densities, etc. Cartesian Coordinates. Cartesian coordinates of all molecules, intermediates, transition states, etc.

Next follow lines for each element in the molecule. More information on the. A simple example with three molecules is shown below. It is strongly recommended that authors view the structures in the file with a modeling program before uploading the file.

The program Mercury version 3. When computational prediction of spectral properties is used to establish identity of new compounds, the following guidelines will apply:. A well-written paper helps share your results most clearly. Our subject-matter expert editors will edit your manuscript for grammar, spelling, and other language errors so your ideas are presented at their best. The quality of illustrations in ACS journals and partner journals depends on the quality of the original files provided by the authors.

Figures are not modified or enhanced by journal production staff. All graphics must be prepared and submitted in digital format. Graphics should be inserted into the main body whenever possible. Please see Appendix 2 for additional information. Any graphic figure chart, scheme, or equation that has appeared in an earlier publication should include a credit line citing the original source. Authors are responsible for obtaining written permission to re-use this material. The impact of your research is not limited to what you can express with words.

Tables and figures such as graphs, photographs, illustrations, diagrams, and other visuals can play a significant role in effectively communicating your findings. This includes changes to file type, resolution, color space, font, scale, line weights, and layout to improve readability and professional appearance. Manuscripts, graphics, supporting information, and required forms, as well as manuscript revisions, must all be submitted in digital format through ACS Paragon Plus , which requires an ACS ID to log in.

Please refer to Appendix 1 for additional information on preparing your submission. The Journal of Organic Chemistry considers for publication only original work that has not been previously published and is not under consideration for publication elsewhere.

When submitting a manuscript, the authors should inform the editor of any prior dissemination of any portion of the content in print or electronic format, whether available openly to the public or under restricted access. This includes electronic posting of conference presentations with the exception of short abstracts , posters, and preprints on institutional repositories and on personal Web sites.

The exception to these restrictions is the final version of a thesis filed as a publicly stated requirement for an undergraduate, masters, or Ph. Authors are allowed to deposit an initial version of their manuscript in a preprint repository such as ChemRxiv , arXiv, bioRxiv, or the applicable repository for their discipline prior to submission.

The preprint should be cited as a reference in the manuscript. Authors are discouraged from posting a preprint or a revised version of the manuscript as a preprint after the manuscript has been submitted to the journal without consulting with the Editor-in-Chief. Article Based on a Preliminary Report.

A copy of the report and any associated supporting information must be uploaded as supporting information for review only. Previous Submission. If substantially the same manuscript has been previously submitted to this or another ACS journal, the cover letter must mention the earlier submission. Permission for Use of Work of Others. A copy of a letter or e-mail message of permission is required when an author cites a personal communication or unpublished results from a researcher who is not a coauthor.

This requirement does not apply to data from commercial or in-house service laboratories. A manuscript incorporating text, tables, or graphics from a copyrighted publication must be accompanied by a copy of a letter or message from the copyright holder identifying the material and granting permission to reproduce it.

Permission is not needed when the material is from a paper by one or more of the coauthors published in an ACS journal. Information for Reviewers.

The Journal of Organic Chemistry operates under a single-blind peer-review process. The quality of the articles published in the peer-reviewed chemical literature depends heavily on the thoroughness and rigor of the manuscript evaluations provided by reviewers. To help facilitate timeliness in the peer-review process, reviewers are expected to promptly respond to invitations to conduct a review and to promptly return their review before the deadline.

The editors ask all reviewers to access the manuscripts they are reviewing and submit their reviews on the ACS Paragon Plus website; manuscript files will not be e-mailed or made available to reviewers by other means.

These include treating the manuscript as a privileged document and disclosing any potential conflict of interest to the editor. The editors will not disclose the names of any reviewer to the author of a manuscript. Reviewers should keep the reviewing process confidential by not contacting authors about the content of manuscripts, or disclosing to authors their role as reviewer, without prior approval of the editor.

If a manuscript declined by JOC is later submitted to a different ACS journal, the names of the reviewers and copies of the reviews will be made available if requested by the editor of that journal. Reviewers should become familiar with this complete Author Guidelines document; tools for viewing Supporting Information are provided here. These comments are seen by the editor as well as by the author.

Review comments should be objective, impersonal, and constructive. For the invited reviewer, you might on occasion ask a postdoctoral researcher or graduate student in your group to review the manuscript along with you. Reviewing manuscripts is recognized as a professional obligation of scientists who themselves publish in the literature. Editors are aware of the demands placed on reviewers and have individual reviewer records available to help avoid assigning multiple reviews simultaneously or for making review requests too often.

Reviewer Credit. Reviewers will receive one credit on their ORCID account for all review activity associated with each manuscript. For more information, click here. Note for Authors about Reviews. As an ethical obligation, authors are expected to clearly and succinctly address all reviewer comments and concerns during manuscript revision and note how the manuscript has been revised, with an eye toward improving their manuscript. Appealing an editorial rejection decision is always an option available to authors, one that the Editorial Team takes seriously.

But such appeals must be based on rational arguments focused specifically on why a decision should be overturned. Appeals may be successful if they address objective issues such as interpretation of data, for example with calm and clear arguments rather than emotional pleas, and address all of the critiques rather than focusing selectively on positive parts of the reviews and ignoring negative comments.

During an appeal, the Editors may obtain additional opinions from other Editors or members of the Editorial Advisory Board before coming to a decision. To help the editors identify reviewers with appropriate expertise, please suggest at least three reviewers, avoiding those who coauthored recent publications with any of the authors or who have a close academic or private relationship. ACS requests that you consider the gender and geographic diversity of your suggested reviewers in addition to their topical expertise.

Authors are encouraged to give reasons for their suggestions. You may also ask editors to exclude certain reviewers and you may suggest a handling editor.

Do not suggest reviewers who may have a real or perceived conflict of interest. Whenever possible, suggest academic email addresses rather than personal email addresses. If your submission is declined for publication by this journal, the editors might deem your work to be better suited for another ACS Publications journal or partner journal and suggest that the authors consider transferring the submission. Manuscript Transfer simplifies and shortens the process of submitting to another ACS journal or partner journal, as all the coauthors, suggested reviewers, manuscript files, and responses to submission questions are copied by ACS Paragon Plus to the new draft submission.

Authors are free to accept or decline the transfer offer. Note that each journal is editorially independent. Transferring a manuscript is not a guarantee that the manuscript will be accepted, as the final publication decision will belong to the editor of the next journal. Correction of the galley proofs is the responsibility of the Corresponding Author. The Corresponding Author of an accepted manuscript will receive e-mail notification and complete instructions when page proofs are available for review via ACS Direct Correct.

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