The η 1 -H–C⋯Hg agostic interactions in the mercury complexes of N-confused porphyrin
Six four-coordinated complexes of the chemical formulae [Hg(2-N CH 2 COOCH 2 CH 3 -21-H-NCTPP)X] with X = Cl ( 5 ), Br ( 6 ), I ( 7 ), [Hg(2-NCH 3 -21-H-NCTPP)Cl] ( 4 ) and [Hg(2-NCH 2 COOCH 2 C 6 H 5 -21-H-NCTPP)X] with X = Cl ( 8 ), I ( 9 ) are synthesized and structurally determined. The bond pat...
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| Veröffentlicht in: | Dalton transactions : an international journal of inorganic chemistry 2018-10, Vol.47 (41), p.14774-14784 |
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| container_title | Dalton transactions : an international journal of inorganic chemistry |
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| creator | Chen, Yi-Chun Tung, Jo-Yu Liu, Ta-Kang Tsai, Wei-Joe Lin, Hsiang-Yin Chang, Yu-Chang Chen, Jyh-Horung |
| description | Six four-coordinated complexes of the chemical formulae [Hg(2-N CH
2
COOCH
2
CH
3
-21-H-NCTPP)X] with X = Cl (
5
), Br (
6
), I (
7
), [Hg(2-NCH
3
-21-H-NCTPP)Cl] (
4
) and [Hg(2-NCH
2
COOCH
2
C
6
H
5
-21-H-NCTPP)X] with X = Cl (
8
), I (
9
) are synthesized and structurally determined. The bond path for the weak η
1
-H(17)–C(17)⋯Hg agostic interactions between the Hg center and H(17) in complexes
4–9
was a through-space interaction from Hg to agostic carbon [C(17)] followed by a through-bond interaction from C(17) to an agostic proton [H(17)]. The magnitude of
J
[Hg–H(17)] [or the agostic upfield shift Δ
δ
ago
of the C(17)] for these complexes increases as the halide ligand varies from iodide to chloride, ranging from 33.2 Hz (or 14.3 ppm) for I
−
to 36 Hz (or 15.8 ppm) for Br
−
and 36.9 Hz (or 16.0 ppm) for Cl
−
. The plot of
J
[Hg–H(17)] for the agostic proton H(17)
versus
|Δ
δ
ago
| for the agostic carbon atom C(17) in compounds
3–9
was linearly expressed as
J
[Hg–H(17)] = 2.29 |Δ
δ
ago
| + 0.13. |
| doi_str_mv | 10.1039/C8DT02895H |
| format | Article |
| fullrecord | <record><control><sourceid>crossref</sourceid><recordid>TN_cdi_crossref_primary_10_1039_C8DT02895H</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>10_1039_C8DT02895H</sourcerecordid><originalsourceid>FETCH-LOGICAL-c76H-428128e329e09d789ed62632911762fba090f0b9f6cfcaa2d7cdd02f47460e4d3</originalsourceid><addsrcrecordid>eNpFkLtOwzAYhS0EEqWw8ASekQK__6R2PKJwCVIFSyaWyPWlDWriyE4lsrEz8iCMvAUP0SehCATTOZ90dIaPkFMG5wxSeVHkVxVgLmflHpmwTIhEYprt_3Xkh-QoxicARJjhhDxWK0s_PyijSbl9eSu2r-_lkqqlj0OjadMNNig9NL6LO6DDbtzaoDdhpNq3_do-20i9o_eJ9p3bRGto70O_GkPTHZMDp9bRnvzmlFQ311VRJvOH27vicp5owcskw5xhblOUFqQRubSGI98hY4KjWyiQ4GAhHddOK4VGaGMAXSYyDjYz6ZSc_dzq4GMM1tV9aFoVxppB_S2l_peSfgF9mVbM</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>The η 1 -H–C⋯Hg agostic interactions in the mercury complexes of N-confused porphyrin</title><source>Royal Society Of Chemistry Journals 2008-</source><source>Alma/SFX Local Collection</source><creator>Chen, Yi-Chun ; Tung, Jo-Yu ; Liu, Ta-Kang ; Tsai, Wei-Joe ; Lin, Hsiang-Yin ; Chang, Yu-Chang ; Chen, Jyh-Horung</creator><creatorcontrib>Chen, Yi-Chun ; Tung, Jo-Yu ; Liu, Ta-Kang ; Tsai, Wei-Joe ; Lin, Hsiang-Yin ; Chang, Yu-Chang ; Chen, Jyh-Horung</creatorcontrib><description>Six four-coordinated complexes of the chemical formulae [Hg(2-N CH
2
COOCH
2
CH
3
-21-H-NCTPP)X] with X = Cl (
5
), Br (
6
), I (
7
), [Hg(2-NCH
3
-21-H-NCTPP)Cl] (
4
) and [Hg(2-NCH
2
COOCH
2
C
6
H
5
-21-H-NCTPP)X] with X = Cl (
8
), I (
9
) are synthesized and structurally determined. The bond path for the weak η
1
-H(17)–C(17)⋯Hg agostic interactions between the Hg center and H(17) in complexes
4–9
was a through-space interaction from Hg to agostic carbon [C(17)] followed by a through-bond interaction from C(17) to an agostic proton [H(17)]. The magnitude of
J
[Hg–H(17)] [or the agostic upfield shift Δ
δ
ago
of the C(17)] for these complexes increases as the halide ligand varies from iodide to chloride, ranging from 33.2 Hz (or 14.3 ppm) for I
−
to 36 Hz (or 15.8 ppm) for Br
−
and 36.9 Hz (or 16.0 ppm) for Cl
−
. The plot of
J
[Hg–H(17)] for the agostic proton H(17)
versus
|Δ
δ
ago
| for the agostic carbon atom C(17) in compounds
3–9
was linearly expressed as
J
[Hg–H(17)] = 2.29 |Δ
δ
ago
| + 0.13.</description><identifier>ISSN: 1477-9226</identifier><identifier>EISSN: 1477-9234</identifier><identifier>DOI: 10.1039/C8DT02895H</identifier><language>eng</language><ispartof>Dalton transactions : an international journal of inorganic chemistry, 2018-10, Vol.47 (41), p.14774-14784</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c76H-428128e329e09d789ed62632911762fba090f0b9f6cfcaa2d7cdd02f47460e4d3</citedby><cites>FETCH-LOGICAL-c76H-428128e329e09d789ed62632911762fba090f0b9f6cfcaa2d7cdd02f47460e4d3</cites><orcidid>0000-0001-9264-5372 ; 0000-0003-1516-7658</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids></links><search><creatorcontrib>Chen, Yi-Chun</creatorcontrib><creatorcontrib>Tung, Jo-Yu</creatorcontrib><creatorcontrib>Liu, Ta-Kang</creatorcontrib><creatorcontrib>Tsai, Wei-Joe</creatorcontrib><creatorcontrib>Lin, Hsiang-Yin</creatorcontrib><creatorcontrib>Chang, Yu-Chang</creatorcontrib><creatorcontrib>Chen, Jyh-Horung</creatorcontrib><title>The η 1 -H–C⋯Hg agostic interactions in the mercury complexes of N-confused porphyrin</title><title>Dalton transactions : an international journal of inorganic chemistry</title><description>Six four-coordinated complexes of the chemical formulae [Hg(2-N CH
2
COOCH
2
CH
3
-21-H-NCTPP)X] with X = Cl (
5
), Br (
6
), I (
7
), [Hg(2-NCH
3
-21-H-NCTPP)Cl] (
4
) and [Hg(2-NCH
2
COOCH
2
C
6
H
5
-21-H-NCTPP)X] with X = Cl (
8
), I (
9
) are synthesized and structurally determined. The bond path for the weak η
1
-H(17)–C(17)⋯Hg agostic interactions between the Hg center and H(17) in complexes
4–9
was a through-space interaction from Hg to agostic carbon [C(17)] followed by a through-bond interaction from C(17) to an agostic proton [H(17)]. The magnitude of
J
[Hg–H(17)] [or the agostic upfield shift Δ
δ
ago
of the C(17)] for these complexes increases as the halide ligand varies from iodide to chloride, ranging from 33.2 Hz (or 14.3 ppm) for I
−
to 36 Hz (or 15.8 ppm) for Br
−
and 36.9 Hz (or 16.0 ppm) for Cl
−
. The plot of
J
[Hg–H(17)] for the agostic proton H(17)
versus
|Δ
δ
ago
| for the agostic carbon atom C(17) in compounds
3–9
was linearly expressed as
J
[Hg–H(17)] = 2.29 |Δ
δ
ago
| + 0.13.</description><issn>1477-9226</issn><issn>1477-9234</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><recordid>eNpFkLtOwzAYhS0EEqWw8ASekQK__6R2PKJwCVIFSyaWyPWlDWriyE4lsrEz8iCMvAUP0SehCATTOZ90dIaPkFMG5wxSeVHkVxVgLmflHpmwTIhEYprt_3Xkh-QoxicARJjhhDxWK0s_PyijSbl9eSu2r-_lkqqlj0OjadMNNig9NL6LO6DDbtzaoDdhpNq3_do-20i9o_eJ9p3bRGto70O_GkPTHZMDp9bRnvzmlFQ311VRJvOH27vicp5owcskw5xhblOUFqQRubSGI98hY4KjWyiQ4GAhHddOK4VGaGMAXSYyDjYz6ZSc_dzq4GMM1tV9aFoVxppB_S2l_peSfgF9mVbM</recordid><startdate>20181023</startdate><enddate>20181023</enddate><creator>Chen, Yi-Chun</creator><creator>Tung, Jo-Yu</creator><creator>Liu, Ta-Kang</creator><creator>Tsai, Wei-Joe</creator><creator>Lin, Hsiang-Yin</creator><creator>Chang, Yu-Chang</creator><creator>Chen, Jyh-Horung</creator><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0001-9264-5372</orcidid><orcidid>https://orcid.org/0000-0003-1516-7658</orcidid></search><sort><creationdate>20181023</creationdate><title>The η 1 -H–C⋯Hg agostic interactions in the mercury complexes of N-confused porphyrin</title><author>Chen, Yi-Chun ; Tung, Jo-Yu ; Liu, Ta-Kang ; Tsai, Wei-Joe ; Lin, Hsiang-Yin ; Chang, Yu-Chang ; Chen, Jyh-Horung</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c76H-428128e329e09d789ed62632911762fba090f0b9f6cfcaa2d7cdd02f47460e4d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Chen, Yi-Chun</creatorcontrib><creatorcontrib>Tung, Jo-Yu</creatorcontrib><creatorcontrib>Liu, Ta-Kang</creatorcontrib><creatorcontrib>Tsai, Wei-Joe</creatorcontrib><creatorcontrib>Lin, Hsiang-Yin</creatorcontrib><creatorcontrib>Chang, Yu-Chang</creatorcontrib><creatorcontrib>Chen, Jyh-Horung</creatorcontrib><collection>CrossRef</collection><jtitle>Dalton transactions : an international journal of inorganic chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Chen, Yi-Chun</au><au>Tung, Jo-Yu</au><au>Liu, Ta-Kang</au><au>Tsai, Wei-Joe</au><au>Lin, Hsiang-Yin</au><au>Chang, Yu-Chang</au><au>Chen, Jyh-Horung</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The η 1 -H–C⋯Hg agostic interactions in the mercury complexes of N-confused porphyrin</atitle><jtitle>Dalton transactions : an international journal of inorganic chemistry</jtitle><date>2018-10-23</date><risdate>2018</risdate><volume>47</volume><issue>41</issue><spage>14774</spage><epage>14784</epage><pages>14774-14784</pages><issn>1477-9226</issn><eissn>1477-9234</eissn><abstract>Six four-coordinated complexes of the chemical formulae [Hg(2-N CH
2
COOCH
2
CH
3
-21-H-NCTPP)X] with X = Cl (
5
), Br (
6
), I (
7
), [Hg(2-NCH
3
-21-H-NCTPP)Cl] (
4
) and [Hg(2-NCH
2
COOCH
2
C
6
H
5
-21-H-NCTPP)X] with X = Cl (
8
), I (
9
) are synthesized and structurally determined. The bond path for the weak η
1
-H(17)–C(17)⋯Hg agostic interactions between the Hg center and H(17) in complexes
4–9
was a through-space interaction from Hg to agostic carbon [C(17)] followed by a through-bond interaction from C(17) to an agostic proton [H(17)]. The magnitude of
J
[Hg–H(17)] [or the agostic upfield shift Δ
δ
ago
of the C(17)] for these complexes increases as the halide ligand varies from iodide to chloride, ranging from 33.2 Hz (or 14.3 ppm) for I
−
to 36 Hz (or 15.8 ppm) for Br
−
and 36.9 Hz (or 16.0 ppm) for Cl
−
. The plot of
J
[Hg–H(17)] for the agostic proton H(17)
versus
|Δ
δ
ago
| for the agostic carbon atom C(17) in compounds
3–9
was linearly expressed as
J
[Hg–H(17)] = 2.29 |Δ
δ
ago
| + 0.13.</abstract><doi>10.1039/C8DT02895H</doi><tpages>11</tpages><orcidid>https://orcid.org/0000-0001-9264-5372</orcidid><orcidid>https://orcid.org/0000-0003-1516-7658</orcidid></addata></record> |
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| ispartof | Dalton transactions : an international journal of inorganic chemistry, 2018-10, Vol.47 (41), p.14774-14784 |
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| language | eng |
| recordid | cdi_crossref_primary_10_1039_C8DT02895H |
| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| title | The η 1 -H–C⋯Hg agostic interactions in the mercury complexes of N-confused porphyrin |
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