A Heteroaromatically Functionalized Hexamolybdate
Abstract
:1. Introduction
2. Results and Discussion
3. Conclusions
Acknowledgments
Author Contributions
Appendix
A1. Instrumentation
A1.1. FT-IR Spectroscopy (KBr Disc)
A1.2. Elemental Analysis
A1.3. Microwave Reactor
A1.4. UV-Vis Spectrometer
A1.5. Mass Spectroscopy (ESI)
A1.6. Thermogravimetric Analysis (TGA)
A1.7. NMR Spectroscopy
A1.8. Column Chromatography
A1.9. Electrochemistry
A2. Experimental Section
Synthesis of (L3): N-[4-(4-bromo-5-methylthiophen-2-yl)-2,6-dimethylphenyl]-1,1-diphenylmethanimine
Synthesis of (L4): (4-bromo-5-methylthiophen-2-yl)-2,6-dimethylaniline·HCl
Synthesis of (1-L4): Mo6O18(4-(4-bromo-5-methylthiophen-2-yl)-2,6-dimethylaniline)
A3. Characterization Section
A3.1. Mass Spectroscopy
A3.2. Electronic Spectroscopy
A3.3. Nuclear Magnetic Resonance Spectroscopy
A3.4. Electrochemistry
A3.5. Computational Details
A3.6. Cartesian Coordinates
Cartesian Coordinates (Å) | |||
---|---|---|---|
H | 3.76704225 | 2.03847542 | 0.30065425 |
C | 8.79961983 | −2.01560166 | 0.41244729 |
H | 8.87077619 | −2.73103735 | −0.41655383 |
H | 9.69833234 | −1.39231526 | 0.40394112 |
H | 8.78913391 | −2.59102756 | 1.34634501 |
C | 0.96256278 | 0.13987740 | −0.04620859 |
C | 1.56254262 | −1.14797725 | −0.14917984 |
C | 1.77530740 | 1.29901199 | 0.10936217 |
C | 2.94484244 | −1.24373548 | −0.09804489 |
H | 3.40180409 | −2.22830515 | −0.19445924 |
C | 1.10163712 | 2.63869224 | 0.22587839 |
H | 0.50481002 | 2.85061645 | −0.66856868 |
H | 1.83866424 | 3.43685064 | 0.36309774 |
H | 0.39680786 | 2.64829174 | 1.06459060 |
C | 7.59386438 | −1.14230232 | 0.28740460 |
C | 6.18839822 | 0.74582657 | 0.03186394 |
H | 5.97589682 | 1.79675983 | −0.11316036 |
C | 3.15321125 | 1.15160124 | 0.15798309 |
C | 3.77009862 | −0.11209650 | 0.05490087 |
C | 0.67156702 | −2.34846316 | −0.30992473 |
H | −0.01800377 | −2.43524581 | 0.53732293 |
H | 1.26335447 | −3.26621562 | −0.38903123 |
H | 0.03677621 | −2.24804774 | −1.19713465 |
C | 5.21655957 | −0.23465473 | 0.11026329 |
C | 7.50055059 | 0.21728381 | 0.13429621 |
N | −0.37806453 | 0.25874441 | −0.08920770 |
O | −6.30236442 | 1.57923483 | −1.41436027 |
O | −4.37228812 | 0.26702048 | −0.09343012 |
O | −2.55751051 | 1.59712153 | −1.44792530 |
O | −6.29892939 | 1.59573674 | 1.21226320 |
O | −4.41902666 | 2.91549342 | −0.08453437 |
O | −2.55711831 | 1.61203372 | 1.24718283 |
O | −4.42922706 | 0.27669877 | −2.74280726 |
O | −6.29344006 | −1.04499882 | 1.23892385 |
O | −4.43233273 | 0.25667581 | 2.55667783 |
O | −6.29498094 | −1.05586386 | −1.40947046 |
O | −2.55700529 | −1.08720380 | −1.42217494 |
O | −4.46304402 | 3.15757998 | −2.93033868 |
O | −2.55518400 | −1.06732613 | 1.24923151 |
O | −4.45481996 | 3.10375150 | 2.79799406 |
O | −8.47713797 | 0.24262438 | −0.08541032 |
O | −4.44104229 | −2.38607044 | −0.10306189 |
O | −4.42260783 | −2.62719372 | 2.74380416 |
O | −4.43177656 | −2.57234737 | −2.98509932 |
S | 5.98186692 | −1.79775572 | 0.31727666 |
BR | 9.04012899 | 1.35225338 | 0.04645216 |
MO | −4.45217513 | 1.95216728 | −1.72269566 |
MO | −6.77320756 | 0.24249817 | −0.08640557 |
MO | −4.44116305 | 1.89427511 | 1.59437427 |
MO | −2.16185379 | 0.29537333 | −0.10077312 |
MO | −4.40705584 | −1.42246356 | 1.53532479 |
MO | −4.41479636 | −1.36432115 | −1.77989579 |
A3.7. Crystallography
Parameter | L3 | 1-L4 |
---|---|---|
Formula | C26H22NSBr | Mo6O18N3C45H84SBr |
Fw | 460.41 | 1642.76 |
Crystal Class | Monoclinic | Monoclinic |
Space Group | P21/n | P21/n |
a (Å) | 12.5989(5) | 11.03023(16) |
b (Å) | 11.5694(5) | 16.9232(2) |
c (Å) | 15.2670(6) | 32.4507(5) |
α (°) | 90 | 90 |
β (°) | 101.954(4) | 98.8238(13) |
γ (°) | 90 | 90 |
V (Å3) | 2177.07(16) | 5985.79(15) |
Z | 4 | 4 |
T (K) | 130.01(10) | 130.01(10) |
μ (mm−1) | 1.996 | 11.658 |
reflns measd | 13729 | 105913 |
unique reflns | 5687 | 12538 |
R1 [I > 2σ(I)] | 0.0497 | 0.0898 |
wR2(all data) | 0.1727 | 0.2471 |
A3.8. Thermal Gravimetric Analysis
Conflicts of Interest
References
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Healey, M.R.; Best, S.P.; Goerigk, L.; Ritchie, C. A Heteroaromatically Functionalized Hexamolybdate. Inorganics 2015, 3, 82-100. https://doi.org/10.3390/inorganics3020082
Healey MR, Best SP, Goerigk L, Ritchie C. A Heteroaromatically Functionalized Hexamolybdate. Inorganics. 2015; 3(2):82-100. https://doi.org/10.3390/inorganics3020082
Chicago/Turabian StyleHealey, Merinda R., Stephen P. Best, Lars Goerigk, and Chris Ritchie. 2015. "A Heteroaromatically Functionalized Hexamolybdate" Inorganics 3, no. 2: 82-100. https://doi.org/10.3390/inorganics3020082