Molecule:100708: Difference between revisions

InChI	1S/C12H8N2.3CO.BrH.Mn/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-2;;/h1-8H;;;;1H;/q;;;;;+1/p-1
InChI-Key	PGQIIBGFONEXSA-UHFFFAOYSA-M
SMILES	[Mn+](~[C-]#[O+])(~[C-]#[O+])(~[C-]#[O+])(~[Br-])1~N2=CC=CC3C=CC4C(C=32)=N~1C=CC=4

Revision as of 15:56, 10 January 2024

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topic

publication

investigation

Investigation type	Catalyst
Photocatalytic CO2 conversion experiments	Photocatalytic CO2 reduction with the Mn complexes under various conditions.
Cyclic Voltammetry experiments
Absorption Emission Spectroscopy experiments
Ultraviolett Visuell experiments

@@ Line 5: / Line 5: @@
 |moleculeKey=PGQIIBGFONEXSA-UHFFFAOYSA-M
 |molOrRxn=
-   -INDIGO-03202311252D
+   -INDIGO-01102415552D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 27: / Line 27: @@
 M  V30 15 C 10.778 -5.13666 0.0 0
 M  V30 16 Br 8.825 -4.95 0.0 0 CHG=-1
-M  V30 17 C 7.95897 -6.45 0.0 0
+M  V30 17 C 7.95897 -6.45 0.0 0 CHG=-1
-M  V30 18 C 8.825 -6.95 0.0 0
+M  V30 18 C 8.825 -6.95 0.0 0 CHG=-1
-M  V30 19 C 9.69103 -6.45 0.0 0
+M  V30 19 C 9.69103 -6.45 0.0 0 CHG=-1
-M  V30 20 O 7.09295 -6.95 0.0 0
+M  V30 20 O 7.09295 -6.95 0.0 0 CHG=1
-M  V30 21 O 8.825 -7.95 0.0 0
+M  V30 21 O 8.825 -7.95 0.0 0 CHG=1
-M  V30 22 O 10.5571 -6.95 0.0 0
+M  V30 22 O 10.5571 -6.95 0.0 0 CHG=1
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 63: / Line 63: @@
 M  V30 END CTAB
 M  END
-|smiles=[Mn+](~C#O)(~C#O)(~C#O)(~[Br-])1~N2=CC=CC3C=CC4C(C=32)=N~1C=CC=4
+|smiles=[Mn+](~[C-]#[O+])(~[C-]#[O+])(~[C-]#[O+])(~[Br-])1~N2=CC=CC3C=CC4C(C=32)=N~1C=CC=4
 |inchi=1S/C12H8N2.3CO.BrH.Mn/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-2;;/h1-8H;;;;1H;/q;;;;;+1/p-1
 |inchikey=PGQIIBGFONEXSA-UHFFFAOYSA-M