Methyl-rotation dynamics in metal-organic frameworks probed with terahertz spectroscopy

In ZIF-8 and its cobalt analogue ZIF-67, the imidazolate methyl-groups, which point directly into the void space, have been shown to freely rotate - even down to cryogenic temperatures. Using a combination of experimental terahertz time-domain spectroscopy, low-frequency Raman spectroscopy, and stat...

Full description

Saved in:
Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2018, Vol.54 (45), p.5776-5779
Main Authors: Li, Qi, Zaczek, Adam J, Korter, Timothy M, Zeitler, J Axel, Ruggiero, Michael T
Format: Article
Language:English
Subjects:
Computer simulation
Cryogenic temperature
Metal-organic frameworks
Rotor dynamics
Spectrum analysis
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
cited_by cdi_FETCH-LOGICAL-c351t-dd6dc67591f25a0dac089af07202ae11bd982ffb9b1008041552736c43f623963
cites cdi_FETCH-LOGICAL-c351t-dd6dc67591f25a0dac089af07202ae11bd982ffb9b1008041552736c43f623963
container_end_page 5779
container_issue 45
container_start_page 5776
container_title Chemical communications (Cambridge, England)
container_volume 54
creator Li, Qi
Zaczek, Adam J
Korter, Timothy M
Zeitler, J Axel
Ruggiero, Michael T
description In ZIF-8 and its cobalt analogue ZIF-67, the imidazolate methyl-groups, which point directly into the void space, have been shown to freely rotate - even down to cryogenic temperatures. Using a combination of experimental terahertz time-domain spectroscopy, low-frequency Raman spectroscopy, and state-of-the-art ab initio simulations, the methyl-rotor dynamics in ZIF-8 and ZIF-67 are fully characterized within the context of a quantum-mechanical hindered-rotor model. The results lend insight into the fundamental origins of the experimentally observed methyl-rotor dynamics, and provide valuable insight into the nature of the weak interactions present within this important class of materials.
doi_str_mv 10.1039/c8cc02650e
format article
fullrecord <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_miscellaneous_2042233957</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2042233957</sourcerecordid><originalsourceid>FETCH-LOGICAL-c351t-dd6dc67591f25a0dac089af07202ae11bd982ffb9b1008041552736c43f623963</originalsourceid><addsrcrecordid>eNpdkE1LxDAURYMozji68QdIwY0I1Xw0TbKUMn7AiBtFdyVNUqdj29QkZai_3o4zuvBt3lscLvcdAE4RvEKQiGvFlYI4pdDsgSkiaRLThL_tb24qYkYSOgFH3q_gOIjyQzDBgnGUMDYFr48mLIc6djbIUNk20kMrm0r5qGqjxgRZx9a9y7ZSUelkY9bWffioc7YwOlpXYRkF4-TSuPAV-c6o4KxXthuOwUEpa29OdnsGXm7nz9l9vHi6e8huFrEiFIVY61SrlFGBSkwl1FJBLmQJGYZYGoQKLTguy0IUCEIOE0QpZiRVCSlTTERKZuBimztW-uyND3lTeWXqWrbG9j7HMMGYEEHZiJ7_Q1e2d-3YbkNxxBLM4Ehdbik1fuKdKfPOVY10Q45gvtGdZzzLfnTPR_hsF9kXjdF_6K9f8g1A53qk</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2048174270</pqid></control><display><type>article</type><title>Methyl-rotation dynamics in metal-organic frameworks probed with terahertz spectroscopy</title><source>Royal Society of Chemistry:Jisc Collections:Royal Society of Chemistry Read and Publish 2022-2024 (reading list)</source><creator>Li, Qi ; Zaczek, Adam J ; Korter, Timothy M ; Zeitler, J Axel ; Ruggiero, Michael T</creator><creatorcontrib>Li, Qi ; Zaczek, Adam J ; Korter, Timothy M ; Zeitler, J Axel ; Ruggiero, Michael T</creatorcontrib><description>In ZIF-8 and its cobalt analogue ZIF-67, the imidazolate methyl-groups, which point directly into the void space, have been shown to freely rotate - even down to cryogenic temperatures. Using a combination of experimental terahertz time-domain spectroscopy, low-frequency Raman spectroscopy, and state-of-the-art ab initio simulations, the methyl-rotor dynamics in ZIF-8 and ZIF-67 are fully characterized within the context of a quantum-mechanical hindered-rotor model. The results lend insight into the fundamental origins of the experimentally observed methyl-rotor dynamics, and provide valuable insight into the nature of the weak interactions present within this important class of materials.</description><identifier>ISSN: 1359-7345</identifier><identifier>EISSN: 1364-548X</identifier><identifier>DOI: 10.1039/c8cc02650e</identifier><identifier>PMID: 29781477</identifier><language>eng</language><publisher>England: Royal Society of Chemistry</publisher><subject>Computer simulation ; Cryogenic temperature ; Metal-organic frameworks ; Rotor dynamics ; Spectrum analysis</subject><ispartof>Chemical communications (Cambridge, England), 2018, Vol.54 (45), p.5776-5779</ispartof><rights>Copyright Royal Society of Chemistry 2018</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c351t-dd6dc67591f25a0dac089af07202ae11bd982ffb9b1008041552736c43f623963</citedby><cites>FETCH-LOGICAL-c351t-dd6dc67591f25a0dac089af07202ae11bd982ffb9b1008041552736c43f623963</cites><orcidid>0000-0003-1848-2565 ; 0000-0003-0841-2758 ; 0000-0002-4958-0582 ; 0000-0002-0574-8507 ; 0000-0002-0398-5680</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,4024,27923,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/29781477$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Li, Qi</creatorcontrib><creatorcontrib>Zaczek, Adam J</creatorcontrib><creatorcontrib>Korter, Timothy M</creatorcontrib><creatorcontrib>Zeitler, J Axel</creatorcontrib><creatorcontrib>Ruggiero, Michael T</creatorcontrib><title>Methyl-rotation dynamics in metal-organic frameworks probed with terahertz spectroscopy</title><title>Chemical communications (Cambridge, England)</title><addtitle>Chem Commun (Camb)</addtitle><description>In ZIF-8 and its cobalt analogue ZIF-67, the imidazolate methyl-groups, which point directly into the void space, have been shown to freely rotate - even down to cryogenic temperatures. Using a combination of experimental terahertz time-domain spectroscopy, low-frequency Raman spectroscopy, and state-of-the-art ab initio simulations, the methyl-rotor dynamics in ZIF-8 and ZIF-67 are fully characterized within the context of a quantum-mechanical hindered-rotor model. The results lend insight into the fundamental origins of the experimentally observed methyl-rotor dynamics, and provide valuable insight into the nature of the weak interactions present within this important class of materials.</description><subject>Computer simulation</subject><subject>Cryogenic temperature</subject><subject>Metal-organic frameworks</subject><subject>Rotor dynamics</subject><subject>Spectrum analysis</subject><issn>1359-7345</issn><issn>1364-548X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><recordid>eNpdkE1LxDAURYMozji68QdIwY0I1Xw0TbKUMn7AiBtFdyVNUqdj29QkZai_3o4zuvBt3lscLvcdAE4RvEKQiGvFlYI4pdDsgSkiaRLThL_tb24qYkYSOgFH3q_gOIjyQzDBgnGUMDYFr48mLIc6djbIUNk20kMrm0r5qGqjxgRZx9a9y7ZSUelkY9bWffioc7YwOlpXYRkF4-TSuPAV-c6o4KxXthuOwUEpa29OdnsGXm7nz9l9vHi6e8huFrEiFIVY61SrlFGBSkwl1FJBLmQJGYZYGoQKLTguy0IUCEIOE0QpZiRVCSlTTERKZuBimztW-uyND3lTeWXqWrbG9j7HMMGYEEHZiJ7_Q1e2d-3YbkNxxBLM4Ehdbik1fuKdKfPOVY10Q45gvtGdZzzLfnTPR_hsF9kXjdF_6K9f8g1A53qk</recordid><startdate>2018</startdate><enddate>2018</enddate><creator>Li, Qi</creator><creator>Zaczek, Adam J</creator><creator>Korter, Timothy M</creator><creator>Zeitler, J Axel</creator><creator>Ruggiero, Michael T</creator><general>Royal Society of Chemistry</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0003-1848-2565</orcidid><orcidid>https://orcid.org/0000-0003-0841-2758</orcidid><orcidid>https://orcid.org/0000-0002-4958-0582</orcidid><orcidid>https://orcid.org/0000-0002-0574-8507</orcidid><orcidid>https://orcid.org/0000-0002-0398-5680</orcidid></search><sort><creationdate>2018</creationdate><title>Methyl-rotation dynamics in metal-organic frameworks probed with terahertz spectroscopy</title><author>Li, Qi ; Zaczek, Adam J ; Korter, Timothy M ; Zeitler, J Axel ; Ruggiero, Michael T</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c351t-dd6dc67591f25a0dac089af07202ae11bd982ffb9b1008041552736c43f623963</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>Computer simulation</topic><topic>Cryogenic temperature</topic><topic>Metal-organic frameworks</topic><topic>Rotor dynamics</topic><topic>Spectrum analysis</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Li, Qi</creatorcontrib><creatorcontrib>Zaczek, Adam J</creatorcontrib><creatorcontrib>Korter, Timothy M</creatorcontrib><creatorcontrib>Zeitler, J Axel</creatorcontrib><creatorcontrib>Ruggiero, Michael T</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>Chemical communications (Cambridge, England)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Li, Qi</au><au>Zaczek, Adam J</au><au>Korter, Timothy M</au><au>Zeitler, J Axel</au><au>Ruggiero, Michael T</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Methyl-rotation dynamics in metal-organic frameworks probed with terahertz spectroscopy</atitle><jtitle>Chemical communications (Cambridge, England)</jtitle><addtitle>Chem Commun (Camb)</addtitle><date>2018</date><risdate>2018</risdate><volume>54</volume><issue>45</issue><spage>5776</spage><epage>5779</epage><pages>5776-5779</pages><issn>1359-7345</issn><eissn>1364-548X</eissn><abstract>In ZIF-8 and its cobalt analogue ZIF-67, the imidazolate methyl-groups, which point directly into the void space, have been shown to freely rotate - even down to cryogenic temperatures. Using a combination of experimental terahertz time-domain spectroscopy, low-frequency Raman spectroscopy, and state-of-the-art ab initio simulations, the methyl-rotor dynamics in ZIF-8 and ZIF-67 are fully characterized within the context of a quantum-mechanical hindered-rotor model. The results lend insight into the fundamental origins of the experimentally observed methyl-rotor dynamics, and provide valuable insight into the nature of the weak interactions present within this important class of materials.</abstract><cop>England</cop><pub>Royal Society of Chemistry</pub><pmid>29781477</pmid><doi>10.1039/c8cc02650e</doi><tpages>4</tpages><orcidid>https://orcid.org/0000-0003-1848-2565</orcidid><orcidid>https://orcid.org/0000-0003-0841-2758</orcidid><orcidid>https://orcid.org/0000-0002-4958-0582</orcidid><orcidid>https://orcid.org/0000-0002-0574-8507</orcidid><orcidid>https://orcid.org/0000-0002-0398-5680</orcidid><oa>free_for_read</oa></addata></record>
fulltext fulltext
identifier ISSN: 1359-7345
ispartof Chemical communications (Cambridge, England), 2018, Vol.54 (45), p.5776-5779
issn 1359-7345
1364-548X
language eng
recordid cdi_proquest_miscellaneous_2042233957
source Royal Society of Chemistry:Jisc Collections:Royal Society of Chemistry Read and Publish 2022-2024 (reading list)
subjects Computer simulation
Cryogenic temperature
Metal-organic frameworks
Rotor dynamics
Spectrum analysis
title Methyl-rotation dynamics in metal-organic frameworks probed with terahertz spectroscopy
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-26T15%3A37%3A44IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Methyl-rotation%20dynamics%20in%20metal-organic%20frameworks%20probed%20with%20terahertz%20spectroscopy&rft.jtitle=Chemical%20communications%20(Cambridge,%20England)&rft.au=Li,%20Qi&rft.date=2018&rft.volume=54&rft.issue=45&rft.spage=5776&rft.epage=5779&rft.pages=5776-5779&rft.issn=1359-7345&rft.eissn=1364-548X&rft_id=info:doi/10.1039/c8cc02650e&rft_dat=%3Cproquest_cross%3E2042233957%3C/proquest_cross%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c351t-dd6dc67591f25a0dac089af07202ae11bd982ffb9b1008041552736c43f623963%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=2048174270&rft_id=info:pmid/29781477&rfr_iscdi=true