User:Wayne Decatur/mof dev
From Proteopedia
< User:Wayne Decatur(Difference between revisions)
												
			
			 (centered all in plane version)  | 
				 (add additional spacefill toggle)  | 
			||
| (24 intermediate revisions not shown.) | |||
| Line 1: | Line 1: | ||
| - | <StructureSection load='' size='450' side='right' caption='A Metal–organic framework structure: the CSD entry JARMEU' scene='10/1092924/  | + | <StructureSection load='' size='450' side='right' caption='A Metal–organic framework structure: the CSD entry JARMEU' scene='10/1092924/Csd_entry_jarmeu_basics/2' >  | 
| + | |||
| + | |||
==Background==  | ==Background==  | ||
| Line 10: | Line 12: | ||
| - | Shown at the right is the building block of the   | + | Shown at the right is the building block of the network (<scene name='10/1092924/Csd_entry_jarmeu_basics/2'>restore initial scene</scene>).  | 
<span style="font-size:200%;">{{Template:ColorKey_Element_C}}, {{Template:ColorKey_Element_N}}, '''{{Font color|#C88033|Cu}}'''</span>  | <span style="font-size:200%;">{{Template:ColorKey_Element_C}}, {{Template:ColorKey_Element_N}}, '''{{Font color|#C88033|Cu}}'''</span>  | ||
| Line 24: | Line 26: | ||
</jmol>  | </jmol>  | ||
| - | The metal here is copper.  | + | The metal here is copper.<br/>     | 
| + | A beautiful diamondoid structure appears that is a 4-connected network. <br/>  | ||
| - | When the repeats of this building block are shown connected to others, the lattice appears. Viewing the <scene name='10/1092924/Csd_entry_jarmeu_1x1x3_set/4'>the CSD entry JARMEU as a   | + | When the repeats of this 4-connected network building block are shown connected to others, the crystalline lattice appears.<br/>  | 
| - | + | Viewing the <scene name='10/1092924/Csd_entry_jarmeu_1x1x3_set/4'>the CSD entry JARMEU as a 1x3x3 set of the metal organic framework</scene> illustrates this.<br/>     | |
The large cavities are visible as the lattice layers onto itself as the view of the structure rotates. <br/>  | The large cavities are visible as the lattice layers onto itself as the view of the structure rotates. <br/>  | ||
The cavities would contain anions and solvent that are not shown in this crystal structure as they'd be freely moving and randomly distributed.  | The cavities would contain anions and solvent that are not shown in this crystal structure as they'd be freely moving and randomly distributed.  | ||
| - | The extensive nature   | + | The extensive crystalline nature with the large cavities becomes more apparent if we consider more of the repeated building blocks. <br/>  | 
| - | <scene name='10/1092924/  | + | <scene name='10/1092924/Csd_entry_jarmeu_lattice/4'>The CSD entry JARMEU as a 1x4x6 lattice of the metal organic framework</scene>.  | 
| + | |||
| + | <jmol>  | ||
| + |  <jmolCheckbox>  | ||
| + |   <scriptWhenChecked>hide all and not cell=555;</scriptWhenChecked>  | ||
| + |   <scriptWhenUnchecked>display all;</scriptWhenUnchecked>  | ||
| + |   <checked>false</checked>  | ||
| + |   <!-- <checked></checked> set it to false or delete it or comment it out as <checked>false</checked> or <checked> </checked>still show as checked-->  | ||
| + |   <text>Toggle to limit to what is in just key cell vs. current lattice network context</text>  | ||
| + |  </jmolCheckbox>  | ||
| + | </jmol>  | ||
| + | |||
| + | <jmol>  | ||
| + |  <jmolCheckbox>  | ||
| + |   <scriptWhenChecked>select all; spacefill on;</scriptWhenChecked>  | ||
| + |   <scriptWhenUnchecked>select all; spacefill 0.35; select hydrogen; spacefill 0.25;</scriptWhenUnchecked>  | ||
| + |   <checked>false</checked>  | ||
| + |   <!-- <checked></checked> set it to false or delete it or comment it out as <checked>false</checked> or <checked> </checked>still show as checked-->  | ||
| + |   <text>CPK Spacefll mode</text>  | ||
| + |  </jmolCheckbox>  | ||
| + | </jmol>  | ||
<jmol>  | <jmol>  | ||
<jmolButton>  | <jmolButton>  | ||
| - | <script>load /wiki/scripts/10/1092924/  | + | <script>load /wiki/scripts/10/1092924/Csd_entry_jarmeu_basics/2.spt</script>  | 
<text>Restore Default Scene</text>  | <text>Restore Default Scene</text>  | ||
</jmolButton>  | </jmolButton>  | ||
| Line 47: | Line 70: | ||
<br/>  | <br/>  | ||
-->  | -->  | ||
| - | |||
| - | |||
| - | |||
==Significance==  | ==Significance==  | ||
| Line 56: | Line 76: | ||
Highlighting the significance is the fact [[Proteopedia:Hot_News| three chemists doing seminal work in this field were awarded the Nobel Prize in Chemistry in 2025]]. The structure featured here played a key role in establishing this field.  | Highlighting the significance is the fact [[Proteopedia:Hot_News| three chemists doing seminal work in this field were awarded the Nobel Prize in Chemistry in 2025]]. The structure featured here played a key role in establishing this field.  | ||
| + | |||
</StructureSection>  | </StructureSection>  | ||
| - | |||
| - | ==Technical Details==  | ||
| - | |||
| - | The views featuring the 1x1x3 set and the plane were built using [https://chemapps.stolaf.edu/jmol/jsmol/jcse/explore.htm the Jmol Crystal Symmetry Explorer] to examine [https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=JARMEU&DatabaseToSearch=CSD CSD Entry: JARMEU].  | ||
==References==  | ==References==  | ||
Current revision
  | |||||||||||
References
- ↑ B.F. Hoskins and R. Robson. 1989. Infinite polymeric frameworks consisting of three dimensionally linked rod-like segments. Journal of the American Chemical Society, v111, pg. 5962-5964, |DOI: 10.1021/ja00197a079
 - ↑ https://www.nobelprize.org/uploads/2025/10/advanced-chemistryprize2025.pdf
 
