Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Allow antiparallel stacking #17

Open
lipelopesoliveira opened this issue Jun 9, 2022 · 0 comments
Open

Allow antiparallel stacking #17

lipelopesoliveira opened this issue Jun 9, 2022 · 0 comments
Assignees
@lipelopesoliveira
Labels
🥵 major fix Big fix that requires time to be implemented 📶 enhancement New feature or request 🆘 help wanted Extra attention is needed 🌟 new feature New feature that should be inplemented
Milestone
Versão Beta-1

Comments

@lipelopesoliveira
Copy link
Owner

lipelopesoliveira commented Jun 9, 2022 •
edited
Loading

Motivation

Te COFs formed by imine condensation may present a antiparallel stacking, as reported in the papers below

Total scattering reveals the hidden stacking disorder in a 2D covalent organic framework
Alexander M. Pütz, Maxwell W. Terban, Sebastian Bette, Frederik Haase, Robert E. Dinnebier and Bettina V. Lotsc
DOI: 10.1039/D0SC03048A (Edge Article) Chem. Sci., 2020, 11, 12647-12654

Tuning the stacking behaviour of a 2D covalent organic framework through non-covalent interactions
F. Haase, K. Gottschling, L. Stegbauer, L. S. Germann, R. Gutzler, V. Duppel, V. S. Vyas, K. Kern ac, R. E. Dinnebier and B. V. Lotsch
DOI: 10.1039/C6QM00378H (Research Article) Mater. Chem. Front., 2017, 1, 1354-1361

A flavin-inspired covalent organic framework for photocatalytic alcohol oxidation
Stefan Trenker, Lars Grunenberg, Tanmay Banerjee, Gökcen Savasci, Laura M. Poller, Katharina I. M. Muggli, Frederik Haase, Christian Ochsenfeld and Bettina V. Lotsch
DOI: 10.1039/D1SC04143F

Besides that, some building blocks may present a T shape, wich also can allow antiparallel stacking

image

LI, Yue et al. Synthesis and catalytic properties of metal–N-heterocyclic-carbene-decorated covalent organic framework. Organic Letters, v. 22, n. 18, p. 7363-7368, 2020.

What should be done?

Add an option to generate COFs with the antiparallel stacking.
@lipelopesoliveira lipelopesoliveira added 📶 enhancement New feature or request 🥵 major fix Big fix that requires time to be implemented 🌟 new feature New feature that should be inplemented labels Jun 9, 2022
@lipelopesoliveira lipelopesoliveira added this to the Versão Beta-1 milestone Jun 9, 2022
@lipelopesoliveira lipelopesoliveira self-assigned this Jun 9, 2022
@lipelopesoliveira lipelopesoliveira changed the title Adicionar empilhamento anti-paralelo Allow antiparalel stacking Nov 29, 2023
@lipelopesoliveira lipelopesoliveira changed the title Allow antiparalel stacking Allow antiparallel stacking Nov 29, 2023
@lipelopesoliveira lipelopesoliveira added the 🆘 help wanted Extra attention is needed label Jun 18, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@lipelopesoliveira lipelopesoliveira

Labels
🥵 major fix Big fix that requires time to be implemented 📶 enhancement New feature or request 🆘 help wanted Extra attention is needed 🌟 new feature New feature that should be inplemented
Projects
None yet
Milestone
Versão Beta-1
Development

No branches or pull requests
1 participant
@lipelopesoliveira