Benzene Orbitals

Author: Dennis Svatunek






  
    LUMO
    LUMO+1
    LUMO+2
  
  
  
    HOMO
    HOMO-1
    HOMO-2

Date:

02.03.2024

Version:

1.0

License:

CC BY-NC

Description:

HOMO of benzene

View Code

<script src="https://code.jquery.com/jquery-3.6.0.min.js"></script>

<script src="https://3Dmol.org/build/3Dmol-min.js"></script>

<div style="text-align: center;">
  <div style="display: flex; justify-content: center; margin: auto; width: 1000px;">
    <div style="width: 333px; display: flex; justify-content: center; align-items: center; text-align: center; height: 20px; font-family: Arial, sans-serif; font-size: 18px; font-weight: bold;">LUMO</div>
    <div style="width: 333px; display: flex; justify-content: center; align-items: center; text-align: center; height: 20px; font-family: Arial, sans-serif; font-size: 18px; font-weight: bold;">LUMO+1</div>
    <div style="width: 333px; display: flex; justify-content: center; align-items: center; text-align: center; height: 20px; font-family: Arial, sans-serif; font-size: 18px; font-weight: bold;">LUMO+2</div>
  </div>
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  <div style="display: flex; justify-content: center; margin: auto; width: 1000px;">
    <div style="width: 333px; display: flex; justify-content: center; align-items: center; text-align: center; height: 20px; font-family: Arial, sans-serif; font-size: 18px; font-weight: bold;">HOMO</div>
    <div style="width: 333px; display: flex; justify-content: center; align-items: center; text-align: center; height: 20px; font-family: Arial, sans-serif; font-size: 18px; font-weight: bold;">HOMO-1</div>
    <div style="width: 333px; display: flex; justify-content: center; align-items: center; text-align: center; height: 20px; font-family: Arial, sans-serif; font-size: 18px; font-weight: bold;">HOMO-2</div>
  </div>
</div>
<script>
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function decompressData(data) {
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                return item;
            }
        }).join(" ");
    }).join("\n");
}
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	var data_LUMO = `Cube file generated by Chemcraft program
Orbital
12 -8.661244 -8.346290 -4.566838
56 0.314954 0.000000 0.000000
54 0.000000 0.314954 0.000000
30 0.000000 0.000000 0.314954
6 6.000000 -2.634807 0.352607 0.000001
6 6.000000 -1.012034 2.458094 0.000023
6 6.000000 -1.622770 -2.105495 -0.000018
6 6.000000 1.622771 2.105494 0.000018
6 6.000000 1.012033 -2.458094 -0.000023
6 6.000000 2.634807 -0.352607 -0.000001
1 1.000000 -4.698728 0.628823 0.000008
1 1.000000 -1.804794 4.383607 0.000029
1 1.000000 -2.893922 -3.754807 -0.000037
1 1.000000 2.893917 3.754811 0.000045
1 1.000000 1.804795 -4.383607 -0.000035
1 1.000000 4.698728 -0.628822 -0.000009
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	var data_LUMOp1 = `Cube file generated by Chemcraft program
Orbital
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	var data_LUMOp2 = `Cube file generated by Chemcraft program
Orbital
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54 0.000000 0.314954 0.000000
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6 6.000000 1.012033 -2.458094 -0.000023
6 6.000000 2.634807 -0.352607 -0.000001
1 1.000000 -4.698728 0.628823 0.000008
1 1.000000 -1.804794 4.383607 0.000029
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1 1.000000 2.893917 3.754811 0.000045
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	var data_HOMOm2 = `Cube file generated by Chemcraft program
Orbital
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    var viewer = viewers[0][0];

	data_LUMO=decompressData(data_LUMO)
    viewer.addModel(data_LUMO, 'cube');
	viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
	viewer.setBackgroundColor('#f9f9f9');
	viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
	var density_LUMO = new $3Dmol.VolumeData(data_LUMO, "cube");
	viewer.addIsosurface(density_LUMO, {isoval: -0.02, color: 'green', alpha: 0.8, smoothness: 10});
	viewer.addIsosurface(density_LUMO, {isoval: 0.02, color: 'blue', alpha: 0.8, smoothness: 10});
	viewer.zoomTo();
	viewer.zoom(1.6);
    viewer.render();

	viewer = viewers[0][1];
	data_LUMOp1=decompressData(data_LUMOp1)
    viewer.addModel(data_LUMOp1, 'cube');
	viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
	viewer.setBackgroundColor('#f9f9f9');
	viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
	var density_LUMOp1 = new $3Dmol.VolumeData(data_LUMOp1, "cube");
	viewer.addIsosurface(density_LUMOp1, {isoval: -0.02, color: 'green', alpha: 0.8, smoothness: 10});
	viewer.addIsosurface(density_LUMOp1, {isoval: 0.02, color: 'blue', alpha: 0.8, smoothness: 10});
	viewer.zoomTo();
	viewer.zoom(1.6);
    viewer.render();

	viewer = viewers[0][2];
	data_LUMOp2=decompressData(data_LUMOp2)
    viewer.addModel(data_LUMOp2, 'cube');
	viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
	viewer.setBackgroundColor('#f9f9f9');
	viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
	var density_LUMOp2 = new $3Dmol.VolumeData(data_LUMOp2, "cube");
	viewer.addIsosurface(density_LUMOp2, {isoval: -0.02, color: 'green', alpha: 0.8, smoothness: 10});
	viewer.addIsosurface(density_LUMOp2, {isoval: 0.02, color: 'blue', alpha: 0.8, smoothness: 10});
	viewer.zoomTo();
	viewer.zoom(1.6);
    viewer.render();

	viewer = viewers[1][2];
	data_HOMOm2=decompressData(data_HOMOm2)
    viewer.addModel(data_HOMOm2, 'cube');
	viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
	viewer.setBackgroundColor('#f9f9f9');
	viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
	var density_HOMOm2 = new $3Dmol.VolumeData(data_HOMOm2, "cube");
	viewer.addIsosurface(density_HOMOm2, {isoval: -0.02, color: 'green', alpha: 0.8, smoothness: 10});
	viewer.addIsosurface(density_HOMOm2, {isoval: 0.02, color: 'blue', alpha: 0.8, smoothness: 10});
	viewer.zoomTo();
	viewer.zoom(1.6);
    viewer.render();

	viewer = viewers[1][1];
	data_HOMOm1=decompressData(data_HOMOm1)
    viewer.addModel(data_HOMOm1, 'cube');
	viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
	viewer.setBackgroundColor('#f9f9f9');
	viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
	var density_HOMOm1 = new $3Dmol.VolumeData(data_HOMOm1, "cube");
	viewer.addIsosurface(density_HOMOm1, {isoval: -0.02, color: 'green', alpha: 0.8, smoothness: 10});
	viewer.addIsosurface(density_HOMOm1, {isoval: 0.02, color: 'blue', alpha: 0.8, smoothness: 10});
	viewer.zoomTo();
	viewer.zoom(1.6);
    viewer.render();

	viewer = viewers[1][0];
	data_HOMO=decompressData(data_HOMO)
    viewer.addModel(data_HOMO, 'cube');
	viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
	viewer.setBackgroundColor('#f9f9f9');
	viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
	var density_HOMO = new $3Dmol.VolumeData(data_HOMO, "cube");
	viewer.addIsosurface(density_HOMO, {isoval: -0.02, color: 'green', alpha: 0.8, smoothness: 10});
	viewer.addIsosurface(density_HOMO, {isoval: 0.02, color: 'blue', alpha: 0.8, smoothness: 10});
	viewer.zoomTo();
	viewer.zoom(1.6);
    viewer.render();


$("#D0205").css("position", "relative");
});
})();
</script>

<script src="https://code.jquery.com/jquery-3.6.0.min.js"></script>

<script src="https://3Dmol.org/build/3Dmol-min.js"></script>

<div style="text-align: center;">
  <div style="display: flex; justify-content: center; margin: auto; width: 1000px;">
    <div style="width: 333px; display: flex; justify-content: center; align-items: center; text-align: center; height: 20px; font-family: Arial, sans-serif; font-size: 18px; font-weight: bold;">LUMO</div>
    <div style="width: 333px; display: flex; justify-content: center; align-items: center; text-align: center; height: 20px; font-family: Arial, sans-serif; font-size: 18px; font-weight: bold;">LUMO+1</div>
    <div style="width: 333px; display: flex; justify-content: center; align-items: center; text-align: center; height: 20px; font-family: Arial, sans-serif; font-size: 18px; font-weight: bold;">LUMO+2</div>
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  <div id="D0205" style="margin: auto; width: 1000px; height: 500px;"></div>
  <div style="display: flex; justify-content: center; margin: auto; width: 1000px;">
    <div style="width: 333px; display: flex; justify-content: center; align-items: center; text-align: center; height: 20px; font-family: Arial, sans-serif; font-size: 18px; font-weight: bold;">HOMO</div>
    <div style="width: 333px; display: flex; justify-content: center; align-items: center; text-align: center; height: 20px; font-family: Arial, sans-serif; font-size: 18px; font-weight: bold;">HOMO-1</div>
    <div style="width: 333px; display: flex; justify-content: center; align-items: center; text-align: center; height: 20px; font-family: Arial, sans-serif; font-size: 18px; font-weight: bold;">HOMO-2</div>
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</div>
<script>
(function() {
function decompressData(data) {
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                const count = parseInt(item.substring(1), 10);
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$(document).ready(function() {
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        rows: 2,
        cols: 3,
        control_all: true  
    }, {defaultcolors: $3Dmol.elementColors.Jmol});
	
	var data_LUMO = `Cube file generated by Chemcraft program
Orbital
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56 0.314954 0.000000 0.000000
54 0.000000 0.314954 0.000000
30 0.000000 0.000000 0.314954
6 6.000000 -2.634807 0.352607 0.000001
6 6.000000 -1.012034 2.458094 0.000023
6 6.000000 -1.622770 -2.105495 -0.000018
6 6.000000 1.622771 2.105494 0.000018
6 6.000000 1.012033 -2.458094 -0.000023
6 6.000000 2.634807 -0.352607 -0.000001
1 1.000000 -4.698728 0.628823 0.000008
1 1.000000 -1.804794 4.383607 0.000029
1 1.000000 -2.893922 -3.754807 -0.000037
1 1.000000 2.893917 3.754811 0.000045
1 1.000000 1.804795 -4.383607 -0.000035
1 1.000000 4.698728 -0.628822 -0.000009
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	var data_LUMOp1 = `Cube file generated by Chemcraft program
Orbital
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	var data_LUMOp2 = `Cube file generated by Chemcraft program
Orbital
12 -8.661244 -8.346290 -4.566838
56 0.314954 0.000000 0.000000
54 0.000000 0.314954 0.000000
30 0.000000 0.000000 0.314954
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6 6.000000 -1.012034 2.458094 0.000023
6 6.000000 -1.622770 -2.105495 -0.000018
6 6.000000 1.622771 2.105494 0.000018
6 6.000000 1.012033 -2.458094 -0.000023
6 6.000000 2.634807 -0.352607 -0.000001
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	var data_HOMOm2 = `Cube file generated by Chemcraft program
Orbital
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6 6.000000 1.622771 2.105494 0.000018
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    var viewer = viewers[0][0];

	data_LUMO=decompressData(data_LUMO)
    viewer.addModel(data_LUMO, 'cube');
	viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
	viewer.setBackgroundColor('#f9f9f9');
	viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
	var density_LUMO = new $3Dmol.VolumeData(data_LUMO, "cube");
	viewer.addIsosurface(density_LUMO, {isoval: -0.02, color: 'green', alpha: 0.8, smoothness: 10});
	viewer.addIsosurface(density_LUMO, {isoval: 0.02, color: 'blue', alpha: 0.8, smoothness: 10});
	viewer.zoomTo();
	viewer.zoom(1.6);
    viewer.render();

	viewer = viewers[0][1];
	data_LUMOp1=decompressData(data_LUMOp1)
    viewer.addModel(data_LUMOp1, 'cube');
	viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
	viewer.setBackgroundColor('#f9f9f9');
	viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
	var density_LUMOp1 = new $3Dmol.VolumeData(data_LUMOp1, "cube");
	viewer.addIsosurface(density_LUMOp1, {isoval: -0.02, color: 'green', alpha: 0.8, smoothness: 10});
	viewer.addIsosurface(density_LUMOp1, {isoval: 0.02, color: 'blue', alpha: 0.8, smoothness: 10});
	viewer.zoomTo();
	viewer.zoom(1.6);
    viewer.render();

	viewer = viewers[0][2];
	data_LUMOp2=decompressData(data_LUMOp2)
    viewer.addModel(data_LUMOp2, 'cube');
	viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
	viewer.setBackgroundColor('#f9f9f9');
	viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
	var density_LUMOp2 = new $3Dmol.VolumeData(data_LUMOp2, "cube");
	viewer.addIsosurface(density_LUMOp2, {isoval: -0.02, color: 'green', alpha: 0.8, smoothness: 10});
	viewer.addIsosurface(density_LUMOp2, {isoval: 0.02, color: 'blue', alpha: 0.8, smoothness: 10});
	viewer.zoomTo();
	viewer.zoom(1.6);
    viewer.render();

	viewer = viewers[1][2];
	data_HOMOm2=decompressData(data_HOMOm2)
    viewer.addModel(data_HOMOm2, 'cube');
	viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
	viewer.setBackgroundColor('#f9f9f9');
	viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
	var density_HOMOm2 = new $3Dmol.VolumeData(data_HOMOm2, "cube");
	viewer.addIsosurface(density_HOMOm2, {isoval: -0.02, color: 'green', alpha: 0.8, smoothness: 10});
	viewer.addIsosurface(density_HOMOm2, {isoval: 0.02, color: 'blue', alpha: 0.8, smoothness: 10});
	viewer.zoomTo();
	viewer.zoom(1.6);
    viewer.render();

	viewer = viewers[1][1];
	data_HOMOm1=decompressData(data_HOMOm1)
    viewer.addModel(data_HOMOm1, 'cube');
	viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
	viewer.setBackgroundColor('#f9f9f9');
	viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
	var density_HOMOm1 = new $3Dmol.VolumeData(data_HOMOm1, "cube");
	viewer.addIsosurface(density_HOMOm1, {isoval: -0.02, color: 'green', alpha: 0.8, smoothness: 10});
	viewer.addIsosurface(density_HOMOm1, {isoval: 0.02, color: 'blue', alpha: 0.8, smoothness: 10});
	viewer.zoomTo();
	viewer.zoom(1.6);
    viewer.render();

	viewer = viewers[1][0];
	data_HOMO=decompressData(data_HOMO)
    viewer.addModel(data_HOMO, 'cube');
	viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
	viewer.setBackgroundColor('#f9f9f9');
	viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
	var density_HOMO = new $3Dmol.VolumeData(data_HOMO, "cube");
	viewer.addIsosurface(density_HOMO, {isoval: -0.02, color: 'green', alpha: 0.8, smoothness: 10});
	viewer.addIsosurface(density_HOMO, {isoval: 0.02, color: 'blue', alpha: 0.8, smoothness: 10});
	viewer.zoomTo();
	viewer.zoom(1.6);
    viewer.render();


$("#D0205").css("position", "relative");
});
})();
</script>