Phase change enthalpies of some monosubstituted derivatives of adamantane: an experimental and theoretical study

The phase change energetics of adamantane, 1-adamantanemethanol, 1-adamantanethanol, 1-adamantanecarboxylic acid, and 1-adamantaneacetic acid is reported. To conduct the study of the compounds’ phase changes, calorimetric techniques and theoretical methodologies were applied. Mole fraction purities,...

Full description

Saved in:
Bibliographic Details
Published in:Structural chemistry 2023-02, Vol.34 (1), p.193-202
Main Authors: Santiago-Sosa, Omar, Camarillo, E. Adriana, García-Pineda, Sebastián, Solano-Altamirano, J. Manuel, Hernández-Pérez, Julio M., Flores, Henoc, Rodríguez-Santiago, Juan, Hernández-Esparza, Raymundo
Format: Article
Language:English
Subjects:
Analysis
Calorimetry
Chemistry
Chemistry and Materials Science
Computer Applications in Chemistry
Enthalpy
Harmonic oscillators
Heat measurement
Molecular interactions
Original Research
Phase change
Physical Chemistry
Solid phases
Specific heat
Sublimation
Theoretical and Computational Chemistry
Thermogravimetric analysis
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
cited_by
cites cdi_FETCH-LOGICAL-c239t-d00c2fec8869e5f3b44fbb8aea74f319f5b4e141144067b38f024b49981c14323
container_end_page 202
container_issue 1
container_start_page 193
container_title Structural chemistry
container_volume 34
creator Santiago-Sosa, Omar
Camarillo, E. Adriana
García-Pineda, Sebastián
Solano-Altamirano, J. Manuel
Hernández-Pérez, Julio M.
Flores, Henoc
Rodríguez-Santiago, Juan
Hernández-Esparza, Raymundo
description The phase change energetics of adamantane, 1-adamantanemethanol, 1-adamantanethanol, 1-adamantanecarboxylic acid, and 1-adamantaneacetic acid is reported. To conduct the study of the compounds’ phase changes, calorimetric techniques and theoretical methodologies were applied. Mole fraction purities, enthalpies, fusion temperatures, and solid phase heat capacities were obtained using differential scanning calorimetry. Enthalpies of sublimation were determined from measurements of mass loss rate and the Clausius-Clapeyron and Langmuir equations, i.e., through thermogravimetric analysis. The gas-phase heat capacities of all stable conformers of the adamantane derivatives at different temperatures were estimated using harmonic oscillator approximation. Finally, the molecular interactions of the adamantane derivatives are discussed.
doi_str_mv 10.1007/s11224-022-02073-0
format article
fullrecord <record><control><sourceid>gale_proqu</sourceid><recordid>TN_cdi_proquest_journals_2769618965</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><galeid>A734708984</galeid><sourcerecordid>A734708984</sourcerecordid><originalsourceid>FETCH-LOGICAL-c239t-d00c2fec8869e5f3b44fbb8aea74f319f5b4e141144067b38f024b49981c14323</originalsourceid><addsrcrecordid>eNp9kctq3TAQhk1pIKdJXiArQddORhdf1F0IvQQCyaJdC1ke5fhwLLmSHJq3z7QuZBfEIM3o_0aXv6ouOVxxgO46cy6EqkEICuhkDR-qHW86UWsA_pHWoKCmgNPqU84HKvJWNrtqedzbjMztbXhChqHs7XGZMLPoWY4zsjmGmNchl6msBUc2YpqebZmeN40d7WxDsQG_MBsY_llof6Y-9kj5yMoeY8IyOcpzWceX8-rE22PGi__zWfXr29eftz_q-4fvd7c397UTUpd6BHDCo-v7VmPj5aCUH4beou2Ul1z7ZlDIFedKQdsNsvcg1KC07rnjSgp5Vn3e-i4p_l4xF3OIawp0pBFdq1ve67Yh1dWmerJHNFPwsSTraIw4Ty4G9BPVbzqpOuh1rwgQG-BSzDmhNwu916YXw8H8tcJsVhiywvyzwgBBcoMyiemf09td3qFeAZPyjQQ</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2769618965</pqid></control><display><type>article</type><title>Phase change enthalpies of some monosubstituted derivatives of adamantane: an experimental and theoretical study</title><source>Springer Link</source><creator>Santiago-Sosa, Omar ; Camarillo, E. Adriana ; García-Pineda, Sebastián ; Solano-Altamirano, J. Manuel ; Hernández-Pérez, Julio M. ; Flores, Henoc ; Rodríguez-Santiago, Juan ; Hernández-Esparza, Raymundo</creator><creatorcontrib>Santiago-Sosa, Omar ; Camarillo, E. Adriana ; García-Pineda, Sebastián ; Solano-Altamirano, J. Manuel ; Hernández-Pérez, Julio M. ; Flores, Henoc ; Rodríguez-Santiago, Juan ; Hernández-Esparza, Raymundo</creatorcontrib><description>The phase change energetics of adamantane, 1-adamantanemethanol, 1-adamantanethanol, 1-adamantanecarboxylic acid, and 1-adamantaneacetic acid is reported. To conduct the study of the compounds’ phase changes, calorimetric techniques and theoretical methodologies were applied. Mole fraction purities, enthalpies, fusion temperatures, and solid phase heat capacities were obtained using differential scanning calorimetry. Enthalpies of sublimation were determined from measurements of mass loss rate and the Clausius-Clapeyron and Langmuir equations, i.e., through thermogravimetric analysis. The gas-phase heat capacities of all stable conformers of the adamantane derivatives at different temperatures were estimated using harmonic oscillator approximation. Finally, the molecular interactions of the adamantane derivatives are discussed.</description><identifier>ISSN: 1040-0400</identifier><identifier>EISSN: 1572-9001</identifier><identifier>DOI: 10.1007/s11224-022-02073-0</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Analysis ; Calorimetry ; Chemistry ; Chemistry and Materials Science ; Computer Applications in Chemistry ; Enthalpy ; Harmonic oscillators ; Heat measurement ; Molecular interactions ; Original Research ; Phase change ; Physical Chemistry ; Solid phases ; Specific heat ; Sublimation ; Theoretical and Computational Chemistry ; Thermogravimetric analysis</subject><ispartof>Structural chemistry, 2023-02, Vol.34 (1), p.193-202</ispartof><rights>The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.</rights><rights>COPYRIGHT 2023 Springer</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c239t-d00c2fec8869e5f3b44fbb8aea74f319f5b4e141144067b38f024b49981c14323</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Santiago-Sosa, Omar</creatorcontrib><creatorcontrib>Camarillo, E. Adriana</creatorcontrib><creatorcontrib>García-Pineda, Sebastián</creatorcontrib><creatorcontrib>Solano-Altamirano, J. Manuel</creatorcontrib><creatorcontrib>Hernández-Pérez, Julio M.</creatorcontrib><creatorcontrib>Flores, Henoc</creatorcontrib><creatorcontrib>Rodríguez-Santiago, Juan</creatorcontrib><creatorcontrib>Hernández-Esparza, Raymundo</creatorcontrib><title>Phase change enthalpies of some monosubstituted derivatives of adamantane: an experimental and theoretical study</title><title>Structural chemistry</title><addtitle>Struct Chem</addtitle><description>The phase change energetics of adamantane, 1-adamantanemethanol, 1-adamantanethanol, 1-adamantanecarboxylic acid, and 1-adamantaneacetic acid is reported. To conduct the study of the compounds’ phase changes, calorimetric techniques and theoretical methodologies were applied. Mole fraction purities, enthalpies, fusion temperatures, and solid phase heat capacities were obtained using differential scanning calorimetry. Enthalpies of sublimation were determined from measurements of mass loss rate and the Clausius-Clapeyron and Langmuir equations, i.e., through thermogravimetric analysis. The gas-phase heat capacities of all stable conformers of the adamantane derivatives at different temperatures were estimated using harmonic oscillator approximation. Finally, the molecular interactions of the adamantane derivatives are discussed.</description><subject>Analysis</subject><subject>Calorimetry</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Computer Applications in Chemistry</subject><subject>Enthalpy</subject><subject>Harmonic oscillators</subject><subject>Heat measurement</subject><subject>Molecular interactions</subject><subject>Original Research</subject><subject>Phase change</subject><subject>Physical Chemistry</subject><subject>Solid phases</subject><subject>Specific heat</subject><subject>Sublimation</subject><subject>Theoretical and Computational Chemistry</subject><subject>Thermogravimetric analysis</subject><issn>1040-0400</issn><issn>1572-9001</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNp9kctq3TAQhk1pIKdJXiArQddORhdf1F0IvQQCyaJdC1ke5fhwLLmSHJq3z7QuZBfEIM3o_0aXv6ouOVxxgO46cy6EqkEICuhkDR-qHW86UWsA_pHWoKCmgNPqU84HKvJWNrtqedzbjMztbXhChqHs7XGZMLPoWY4zsjmGmNchl6msBUc2YpqebZmeN40d7WxDsQG_MBsY_llof6Y-9kj5yMoeY8IyOcpzWceX8-rE22PGi__zWfXr29eftz_q-4fvd7c397UTUpd6BHDCo-v7VmPj5aCUH4beou2Ul1z7ZlDIFedKQdsNsvcg1KC07rnjSgp5Vn3e-i4p_l4xF3OIawp0pBFdq1ve67Yh1dWmerJHNFPwsSTraIw4Ty4G9BPVbzqpOuh1rwgQG-BSzDmhNwu916YXw8H8tcJsVhiywvyzwgBBcoMyiemf09td3qFeAZPyjQQ</recordid><startdate>20230201</startdate><enddate>20230201</enddate><creator>Santiago-Sosa, Omar</creator><creator>Camarillo, E. Adriana</creator><creator>García-Pineda, Sebastián</creator><creator>Solano-Altamirano, J. Manuel</creator><creator>Hernández-Pérez, Julio M.</creator><creator>Flores, Henoc</creator><creator>Rodríguez-Santiago, Juan</creator><creator>Hernández-Esparza, Raymundo</creator><general>Springer US</general><general>Springer</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20230201</creationdate><title>Phase change enthalpies of some monosubstituted derivatives of adamantane: an experimental and theoretical study</title><author>Santiago-Sosa, Omar ; Camarillo, E. Adriana ; García-Pineda, Sebastián ; Solano-Altamirano, J. Manuel ; Hernández-Pérez, Julio M. ; Flores, Henoc ; Rodríguez-Santiago, Juan ; Hernández-Esparza, Raymundo</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c239t-d00c2fec8869e5f3b44fbb8aea74f319f5b4e141144067b38f024b49981c14323</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Analysis</topic><topic>Calorimetry</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Computer Applications in Chemistry</topic><topic>Enthalpy</topic><topic>Harmonic oscillators</topic><topic>Heat measurement</topic><topic>Molecular interactions</topic><topic>Original Research</topic><topic>Phase change</topic><topic>Physical Chemistry</topic><topic>Solid phases</topic><topic>Specific heat</topic><topic>Sublimation</topic><topic>Theoretical and Computational Chemistry</topic><topic>Thermogravimetric analysis</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Santiago-Sosa, Omar</creatorcontrib><creatorcontrib>Camarillo, E. Adriana</creatorcontrib><creatorcontrib>García-Pineda, Sebastián</creatorcontrib><creatorcontrib>Solano-Altamirano, J. Manuel</creatorcontrib><creatorcontrib>Hernández-Pérez, Julio M.</creatorcontrib><creatorcontrib>Flores, Henoc</creatorcontrib><creatorcontrib>Rodríguez-Santiago, Juan</creatorcontrib><creatorcontrib>Hernández-Esparza, Raymundo</creatorcontrib><collection>CrossRef</collection><jtitle>Structural chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Santiago-Sosa, Omar</au><au>Camarillo, E. Adriana</au><au>García-Pineda, Sebastián</au><au>Solano-Altamirano, J. Manuel</au><au>Hernández-Pérez, Julio M.</au><au>Flores, Henoc</au><au>Rodríguez-Santiago, Juan</au><au>Hernández-Esparza, Raymundo</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Phase change enthalpies of some monosubstituted derivatives of adamantane: an experimental and theoretical study</atitle><jtitle>Structural chemistry</jtitle><stitle>Struct Chem</stitle><date>2023-02-01</date><risdate>2023</risdate><volume>34</volume><issue>1</issue><spage>193</spage><epage>202</epage><pages>193-202</pages><issn>1040-0400</issn><eissn>1572-9001</eissn><abstract>The phase change energetics of adamantane, 1-adamantanemethanol, 1-adamantanethanol, 1-adamantanecarboxylic acid, and 1-adamantaneacetic acid is reported. To conduct the study of the compounds’ phase changes, calorimetric techniques and theoretical methodologies were applied. Mole fraction purities, enthalpies, fusion temperatures, and solid phase heat capacities were obtained using differential scanning calorimetry. Enthalpies of sublimation were determined from measurements of mass loss rate and the Clausius-Clapeyron and Langmuir equations, i.e., through thermogravimetric analysis. The gas-phase heat capacities of all stable conformers of the adamantane derivatives at different temperatures were estimated using harmonic oscillator approximation. Finally, the molecular interactions of the adamantane derivatives are discussed.</abstract><cop>New York</cop><pub>Springer US</pub><doi>10.1007/s11224-022-02073-0</doi><tpages>10</tpages></addata></record>
fulltext fulltext
identifier ISSN: 1040-0400
ispartof Structural chemistry, 2023-02, Vol.34 (1), p.193-202
issn 1040-0400
1572-9001
language eng
recordid cdi_proquest_journals_2769618965
source Springer Link
subjects Analysis
Calorimetry
Chemistry
Chemistry and Materials Science
Computer Applications in Chemistry
Enthalpy
Harmonic oscillators
Heat measurement
Molecular interactions
Original Research
Phase change
Physical Chemistry
Solid phases
Specific heat
Sublimation
Theoretical and Computational Chemistry
Thermogravimetric analysis
title Phase change enthalpies of some monosubstituted derivatives of adamantane: an experimental and theoretical study
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-29T16%3A10%3A59IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-gale_proqu&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Phase%20change%20enthalpies%20of%20some%20monosubstituted%20derivatives%20of%20adamantane:%20an%20experimental%20and%20theoretical%20study&rft.jtitle=Structural%20chemistry&rft.au=Santiago-Sosa,%20Omar&rft.date=2023-02-01&rft.volume=34&rft.issue=1&rft.spage=193&rft.epage=202&rft.pages=193-202&rft.issn=1040-0400&rft.eissn=1572-9001&rft_id=info:doi/10.1007/s11224-022-02073-0&rft_dat=%3Cgale_proqu%3EA734708984%3C/gale_proqu%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c239t-d00c2fec8869e5f3b44fbb8aea74f319f5b4e141144067b38f024b49981c14323%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=2769618965&rft_id=info:pmid/&rft_galeid=A734708984&rfr_iscdi=true