Specific Host-Guest Interactions in the Crown Ether Complexes with K + and NH 4 + Revealed from the Vibrational Relaxation Dynamics of the Counteranion
The specific host-guest interactions in the corresponding complexes of K and NH with typical crown ethers were investigated by using FTIR and ultrafast IR spectroscopies. The counteranions, i.e., SCN , were employed as a local vibrational probe to report the structural dynamics of the complexation....
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| Veröffentlicht in: | The journal of physical chemistry. B 2020-10, Vol.124 (41), p.9154-9162 |
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| container_title | The journal of physical chemistry. B |
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| creator | Zhou, Dexia Hao, Hongxing Ma, Yinhua Zhong, Hongmei Dai, Ya'nan Cai, Kaicong Mukherjee, Somnath Liu, Jing Bian, Hongtao |
| description | The specific host-guest interactions in the corresponding complexes of K
and NH
with typical crown ethers were investigated by using FTIR and ultrafast IR spectroscopies. The counteranions, i.e., SCN
, were employed as a local vibrational probe to report the structural dynamics of the complexation. It was found that the vibrational relaxation dynamics of the SCN
was strongly affected by the cations confined in the cavities of the crown ethers. The time constant of the vibrational population decay of SCN
in the complex of NH
with the 18-crown-6 was determined to be 6 ± 2 ps, which is ∼30 times faster than that in the complex of K
with the crown ethers. Control experiments showed that the vibrational population decay of SCN
depended on the size of the cavities of the crown ethers. A theoretical calculation further indicated that the nitrogen atom of SCN
showed preferential coordination to the K
ions hosted by the crown ethers, while the NH
can form hydrogen bonds with the oxygen atoms in the studied crown ethers. The geometric constraints formed in the complex of crown ethers can cause a specific interaction between the NH
and SCN
, which can facilitate the intermolecular vibrational energy redistribution of the SCN
. |
| doi_str_mv | 10.1021/acs.jpcb.0c07032 |
| format | Article |
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and NH
with typical crown ethers were investigated by using FTIR and ultrafast IR spectroscopies. The counteranions, i.e., SCN
, were employed as a local vibrational probe to report the structural dynamics of the complexation. It was found that the vibrational relaxation dynamics of the SCN
was strongly affected by the cations confined in the cavities of the crown ethers. The time constant of the vibrational population decay of SCN
in the complex of NH
with the 18-crown-6 was determined to be 6 ± 2 ps, which is ∼30 times faster than that in the complex of K
with the crown ethers. Control experiments showed that the vibrational population decay of SCN
depended on the size of the cavities of the crown ethers. A theoretical calculation further indicated that the nitrogen atom of SCN
showed preferential coordination to the K
ions hosted by the crown ethers, while the NH
can form hydrogen bonds with the oxygen atoms in the studied crown ethers. The geometric constraints formed in the complex of crown ethers can cause a specific interaction between the NH
and SCN
, which can facilitate the intermolecular vibrational energy redistribution of the SCN
.</description><identifier>ISSN: 1520-6106</identifier><identifier>EISSN: 1520-5207</identifier><identifier>DOI: 10.1021/acs.jpcb.0c07032</identifier><identifier>PMID: 32965118</identifier><language>eng</language><publisher>United States</publisher><ispartof>The journal of physical chemistry. B, 2020-10, Vol.124 (41), p.9154-9162</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c1118-a4672d4f0d4f1efca24101a72dde7acae7e48b355aabdbc406f351367c4672d73</citedby><cites>FETCH-LOGICAL-c1118-a4672d4f0d4f1efca24101a72dde7acae7e48b355aabdbc406f351367c4672d73</cites><orcidid>0000-0003-1004-2792 ; 0000-0002-8900-4766</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,2765,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/32965118$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Zhou, Dexia</creatorcontrib><creatorcontrib>Hao, Hongxing</creatorcontrib><creatorcontrib>Ma, Yinhua</creatorcontrib><creatorcontrib>Zhong, Hongmei</creatorcontrib><creatorcontrib>Dai, Ya'nan</creatorcontrib><creatorcontrib>Cai, Kaicong</creatorcontrib><creatorcontrib>Mukherjee, Somnath</creatorcontrib><creatorcontrib>Liu, Jing</creatorcontrib><creatorcontrib>Bian, Hongtao</creatorcontrib><title>Specific Host-Guest Interactions in the Crown Ether Complexes with K + and NH 4 + Revealed from the Vibrational Relaxation Dynamics of the Counteranion</title><title>The journal of physical chemistry. B</title><addtitle>J Phys Chem B</addtitle><description>The specific host-guest interactions in the corresponding complexes of K
and NH
with typical crown ethers were investigated by using FTIR and ultrafast IR spectroscopies. The counteranions, i.e., SCN
, were employed as a local vibrational probe to report the structural dynamics of the complexation. It was found that the vibrational relaxation dynamics of the SCN
was strongly affected by the cations confined in the cavities of the crown ethers. The time constant of the vibrational population decay of SCN
in the complex of NH
with the 18-crown-6 was determined to be 6 ± 2 ps, which is ∼30 times faster than that in the complex of K
with the crown ethers. Control experiments showed that the vibrational population decay of SCN
depended on the size of the cavities of the crown ethers. A theoretical calculation further indicated that the nitrogen atom of SCN
showed preferential coordination to the K
ions hosted by the crown ethers, while the NH
can form hydrogen bonds with the oxygen atoms in the studied crown ethers. The geometric constraints formed in the complex of crown ethers can cause a specific interaction between the NH
and SCN
, which can facilitate the intermolecular vibrational energy redistribution of the SCN
.</description><issn>1520-6106</issn><issn>1520-5207</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNo9kE1PAjEQhhujEUTvnkzvZrHtfuHRIAKRaOLXdTPbnYaS3e2mXQR-iX_XsqCHSd928sw0DyHXnA05E_wOpBuuGpkPmWQpC8UJ6fNYsMBXenrMCWdJj1w4t2JMxGKUnJNeKO6TmPNRn_y8Nyi10pLOjGuD6RpdS-d1ixZkq03tqK5pu0Q6tmZT04mPlo5N1ZS4RUc3ul3SZ3pLoS7oy4xGPr7hN0KJBVXWVB37pXML-2lQ-m4J2-5CH3c1VFo6atRhhVl3i2vfvCRnCkqHV8dzQD6fJh_jWbB4nc7HD4tAcv__AKIkFUWkmC-OSoKIOOPg3wpMQQKmGI3yMI4B8iKXEUtUGPMwSWUHpuGAsMNcaY1zFlXWWF2B3WWcZXvHmXec7R1nR8ceuTkgzTqvsPgH_qSGvw1AexI</recordid><startdate>20201015</startdate><enddate>20201015</enddate><creator>Zhou, Dexia</creator><creator>Hao, Hongxing</creator><creator>Ma, Yinhua</creator><creator>Zhong, Hongmei</creator><creator>Dai, Ya'nan</creator><creator>Cai, Kaicong</creator><creator>Mukherjee, Somnath</creator><creator>Liu, Jing</creator><creator>Bian, Hongtao</creator><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0003-1004-2792</orcidid><orcidid>https://orcid.org/0000-0002-8900-4766</orcidid></search><sort><creationdate>20201015</creationdate><title>Specific Host-Guest Interactions in the Crown Ether Complexes with K + and NH 4 + Revealed from the Vibrational Relaxation Dynamics of the Counteranion</title><author>Zhou, Dexia ; Hao, Hongxing ; Ma, Yinhua ; Zhong, Hongmei ; Dai, Ya'nan ; Cai, Kaicong ; Mukherjee, Somnath ; Liu, Jing ; Bian, Hongtao</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c1118-a4672d4f0d4f1efca24101a72dde7acae7e48b355aabdbc406f351367c4672d73</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhou, Dexia</creatorcontrib><creatorcontrib>Hao, Hongxing</creatorcontrib><creatorcontrib>Ma, Yinhua</creatorcontrib><creatorcontrib>Zhong, Hongmei</creatorcontrib><creatorcontrib>Dai, Ya'nan</creatorcontrib><creatorcontrib>Cai, Kaicong</creatorcontrib><creatorcontrib>Mukherjee, Somnath</creatorcontrib><creatorcontrib>Liu, Jing</creatorcontrib><creatorcontrib>Bian, Hongtao</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><jtitle>The journal of physical chemistry. B</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zhou, Dexia</au><au>Hao, Hongxing</au><au>Ma, Yinhua</au><au>Zhong, Hongmei</au><au>Dai, Ya'nan</au><au>Cai, Kaicong</au><au>Mukherjee, Somnath</au><au>Liu, Jing</au><au>Bian, Hongtao</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Specific Host-Guest Interactions in the Crown Ether Complexes with K + and NH 4 + Revealed from the Vibrational Relaxation Dynamics of the Counteranion</atitle><jtitle>The journal of physical chemistry. B</jtitle><addtitle>J Phys Chem B</addtitle><date>2020-10-15</date><risdate>2020</risdate><volume>124</volume><issue>41</issue><spage>9154</spage><epage>9162</epage><pages>9154-9162</pages><issn>1520-6106</issn><eissn>1520-5207</eissn><abstract>The specific host-guest interactions in the corresponding complexes of K
and NH
with typical crown ethers were investigated by using FTIR and ultrafast IR spectroscopies. The counteranions, i.e., SCN
, were employed as a local vibrational probe to report the structural dynamics of the complexation. It was found that the vibrational relaxation dynamics of the SCN
was strongly affected by the cations confined in the cavities of the crown ethers. The time constant of the vibrational population decay of SCN
in the complex of NH
with the 18-crown-6 was determined to be 6 ± 2 ps, which is ∼30 times faster than that in the complex of K
with the crown ethers. Control experiments showed that the vibrational population decay of SCN
depended on the size of the cavities of the crown ethers. A theoretical calculation further indicated that the nitrogen atom of SCN
showed preferential coordination to the K
ions hosted by the crown ethers, while the NH
can form hydrogen bonds with the oxygen atoms in the studied crown ethers. The geometric constraints formed in the complex of crown ethers can cause a specific interaction between the NH
and SCN
, which can facilitate the intermolecular vibrational energy redistribution of the SCN
.</abstract><cop>United States</cop><pmid>32965118</pmid><doi>10.1021/acs.jpcb.0c07032</doi><tpages>9</tpages><orcidid>https://orcid.org/0000-0003-1004-2792</orcidid><orcidid>https://orcid.org/0000-0002-8900-4766</orcidid></addata></record> |
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| language | eng |
| recordid | cdi_crossref_primary_10_1021_acs_jpcb_0c07032 |
| source | ACS Publications |
| title | Specific Host-Guest Interactions in the Crown Ether Complexes with K + and NH 4 + Revealed from the Vibrational Relaxation Dynamics of the Counteranion |
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