Patent Application
20150017624
The present invention relates to molecular modeling devices, and more specifically, to such devices which represent molecular bond geometry.
Molecular ball-and-stick models are well known within the art. Chemists, students, and enthusiasts use ball-and-stick models to aid in the understanding of complex molecular structures. These models are comprised of color-coded ball units simulating different molecules and are held together by rod-like sticks. These sticks can be made from a plurality of materials such as, but not limited to, wood, plastic, or metallic springs. The stick is removably placed into bored-out holes on the molecular balls, creating a simulated molecular bond.
Generally, the amount of bonding holes on the ball represents the total number of possible intermolecular bonds available to a certain atom. Hydrogen, being the most primary of elements, may only bond with one other element, and as such, the corresponding hydrogen ball molecule will only possess one bonding hole.
Molecular geometry is known within the art. Due to intramolecular forces, atoms tend not to be fixed in space with respect to other atoms during chemical reactions. The attraction and repulsion of these particles force the molecule to change shape, bend, or otherwise rehybridize. Adding additional atoms to the structure will further alter the overall shape of the complete molecule. These mutations can be very hard to comprehend and it stands to reason that a visual representation of the shape of a molecule will aid in the understanding of molecular interaction.
Current modeling systems can only offer static geometries, as these units possess fixed, drilled out holes. This makes it difficult to visualize how and why certain molecules behave the way they do. The overall transformation from reactant to product also remains very difficult to conceptualize as the user must disassemble the current structure in order to depict the final, molecular product.
When considering chemical reactions, atomic orbitals must also be considered. Current ball-and-stick models show only which orbitals are present within the complete structure. This leaves the user with a visually unknown set of orbitals, and as such, may lead to a misunderstanding of potential reactions and molecular geometry.
Within the art, it could be said there lies a need for a ball-and-stick type kit which visually presents the rehybridization of atomic orbitals without needing to disassemble or reassemble the model. The art also presents a need for a model kit which easily shows transition states on the way to a chemical product.
Molecular models are kits of atoms and bonds which may be constructed to form models of any number of molecules. They are used extensively in education as required materials in undergraduate curriculum for Organic Chemistry and in graduate research by grad students and professors. Molecular models are also used in the pharmaceutical and industrial world. They typically consist of brightly colored plastic atoms and some type of bonds. Their primary use is to be able to visually consider and analyze the three-dimensional structure of molecules for various purposes. These models, once made, are static. They do not move. They are rigid. The atoms have holes at certain angles in them where the bonds are inserted and these angles are static. This idea of the molecular model kit has remained essentially unchanged for many decades, but they have at least one major shortcoming.
Real atoms rehybridize as they undergo chemical reactions. That is to say they alter not only the number of bonds with which they attach to other atoms, but the angles between these bonds move. These geometries are very difficult to describe for both the fixed bonds and the bonds that rearrange. The difficulty in conceptualizing these bonds is one reason scientists have resorted to models for their depiction.
The present invention meets these needs by providing the user with a molecular model kit which allows the user to visually ascertain rehybridization of atomic orbitals as well as depicting unhybridized orbitals that may be present within the molecule.
The present invention provides a molecular modeling device that allows for the transformation of atoms in a tetrahedral bonding arrangement with fixed 109.5 degree angles around a spherical central atom to another final tetrahedral geometry then back to the original geometry, or to a trigonal planar bonding arrangement with fixed 120 degree angles around a spherical central atom. The present invention also provides a representation of the empty, unhybridized p-orbital on a central, sp2 hybrid atom. Put another way, the present invention allows for the rehybridization of an sp3 hybrid atom into an sp2 hybrid atom, and back to an sp3 hybrid atom.
Embodiments of the present invention provide a molecular modeling device that contains atoms which rehybridize. The atoms of these embodiments can undergo transformation between sp3 hybrid atoms and sp2 hybrid atoms with no required disassembly or reassembly and with using the same bonds.
Embodiments of the present invention allow the mechanism of transformation to be observed. These embodiments allow students, teachers, and researchers to see vital transition states during transformation. These transition states are exceedingly important in studying chemical kinetics, chemical mechanisms, stereochemistry, sterics, and many other fundamental chemistry topics.
Embodiments of the present invention show the unhybridized p-orbitals in sp2 hybrid atoms. These orbitals are very important mechanistically and to study and predict the nature of these substrates and the products of their reactions.
Embodiments of the present invention transform into sp3 hybrid orbitals without disassembly and reassembly whereas current molecular models require either disassembly and reassembly, or do not provide for this hybridization at all.
Embodiments of the present invention provide many other benefits over the prior art including, but not limited to, the ability to realistically show: an aromatic bond; the angle of approach for nucleophilic attack on sp2 carbons; representation of carbocations and radicals; and nitrogen inversion
In accordance with the embodiments described above, the present invention provides a molecular modeling device that allows for visual representations of transformation and rehybridization events. The molecular modeling device has several movable components that, when taken together, form the entire modeling device.
One component of the modeling device is a spherical shell comprised of a lower and an upper half The spherical shell has a design and internal construction that allow the other components of the modeling device, a center rod and three rotating arms, to extend through, or be rotatably affixed to the spherical shell.
One exemplary embodiment of the present invention provides a molecular modeling device with a center rod that extends through a spherical shell that represents a central atom. The spherical shell has three openings spaced equidistance around its circumference through which rotating arms extend and rotate through degrees of arc. The rotating arms represent the bonding arrangement of other atoms and provide a visual depiction of bonding geometries and orientation before, during, and after transformation or hybridization. The center rod controls the movement of the rotating arms through mechanical attachments within the spherical shell. When the center rod is moved, catches mounted on the ends of the rotating arms contact with pivot points on the center rod and rotate accordingly.
The preceding brief description is intended to merely outline some functions and advantages of the present invention. The following disclosure will set forth other functions and advantages of the present invention along with novel features that distinguish the present invention from the prior art. It is to be understood that the following disclosure is by no means intended to limit the scope of the present invention or any of its embodiments. It is also to be understood that the accompanying illustrations are presented for descriptive purposes only and similarly are not intended to limit the scope of present invention or any of its embodiments. The following disclosure and accompanying illustrations may describe various features of novelty that characterize the invention. The invention does not reside any particular feature when taken in the singular, but in the combination of features as described herein.
In the following detailed description, reference is made to the accompanying images that show, by way of illustration, specific embodiments in which the invention may be practiced. These embodiments are described in sufficient detail to enable those skilled in the art to practice the invention. It is to be understood that the various embodiments of the invention, although different, are not necessarily mutually exclusive. Furthermore, a particular feature, structure, or characteristic described herein in connection with one embodiment may be implemented within other embodiments without departing from the scope of the invention. In addition, it is to be understood that the location or arrangement of individual elements within each disclosed embodiment may be modified without departing from the scope of the invention. The following detailed description is, therefore, not to be taken in a limiting sense, and the scope of the present invention is defined only by appended claims, appropriately interpreted, along with the full range of equivalents to which the claims are entitled.
Further, the purpose of the Abstract herein is to enable the U.S. Patent and Trademark Office and the public generally, and especially the scientists, engineers and practitioners in the art who are not familiar with patent or legal terms or phraseology, to determine quickly from a cursory inspection the nature and essence of the technical disclosure of the application. The Abstract is neither intended to define the invention of this application nor is it intended to be limiting as to the scope of the invention in any way.
The word “exemplary” is used herein to mean “serving as an example, instance, or illustration.” Any embodiment described herein as “exemplary” is not necessarily to be construed as preferred or advantageous over other embodiments. Likewise, the terms “embodiment(s) of the invention”, “alternative embodiment(s)”, and “exemplary embodiment(s)” do not require that all embodiments of the apparatus include the discussed feature, advantage or mode of operation. The following descriptions of the preferred embodiments are merely exemplary in nature and is in no way intended to limit the invention, its application, or use.
For the purpose of clarity, all like elements will have the same numbering and designations in each of the images. The terms “molecular modeling device”, “modeling device”, “molecular model”, “model”, “present invention”, and “invention” may be used interchangeably. In addition to the functions, features, components, and abilities of the apparatus already discussed in this specification, the molecular modeling device may also have, but not be limited to, the following features contained within the description set forth herein.
Several preferred embodiments of the molecular modeling device are discussed in this section. However, the invention is not limited to these embodiments. A molecular modeling device, as according to the present invention, is any molecular model that allows for the transformation of atoms in a tetrahedral bonding arrangement, with fixed, 109.5 degree angles around a spherical, central atom, to a trigonal planar bonding arrangement, with fixed, 120 degree angles around a spherical, central atom. Certain embodiments of the present invention also allow for representation of the empty, unhybridized p-orbital on an atom. Other embodiments of the present invention provide a molecular model that allows for the rehybridization of an sp3 hybrid atom to an sp2 hybrid atom. Embodiments of the molecular modeling device can be used for various purposes to help users visualize the three-dimensional structure of atoms before and after rehybridization.
Referring now to
A circular center rod opening (101) located at the apex of the lower shell (100) allows for a center rod (
Three rotating arm openings (102) are spaced equidistance around the base of the lower shell (100) that allow for rotating arms (
Referring now to
A lower shell mating groove (105) is formed along the bottom edge of the lower shell (100). The lower shell mating groove (105) receives the upper shell mating ridge (
In these figures, the interior of the three rotating arm openings (102) can be seen. The rotating arm openings (102) are aligned with the rotating arm passages (104) so that the rotating arms (
Referring now to
Center rod pivot points (109) are located along the rotating arm slide troughs (110) that cause the rotating arms ((
Retention grooves (114) are located along the exterior of the center rod (107). Retention pins (
Referring now to
Each rotating arm (111) has a rotating arm transition catch (113) at one end. The rotating arm transition catch (113) fits into the rotating arm slide trough (
Referring now to
A circular center rod opening (101) is located at the apex of the upper shell (115) that allows for a center rod (
Three rotating arm openings (102) are spaced equidistance around the base of the upper shell (115) that allow for rotating arms (
An upper shell mating ridge (118) is formed along the bottom exterior edge of the upper shell (115). The upper shell mating ridge (118) fits into the lower shell mating groove (
Referring now to
In these figures, the interior of the three rotating arm openings (102) can be seen. The rotating arm openings (102) are aligned with the rotating arm passages (104) so that the rotating arms (
Referring now to
Referring now to
As set forth in this description and the attached images, an improved molecular modeling device has been developed that improves upon conventional modeling devices. The various embodiments of the improved molecular modeling device described herein can be used in a wide variety of applications.
The preceding exemplary embodiments are not intended to be limiting, but are merely illustrative for the possible uses of the molecular modeling device.
Although certain example apparatus and articles of manufacture have been described herein, the scope of coverage of this patent is not limited thereto. On the contrary, this patent covers all apparatus and articles of manufacture fairly falling within the scope of the invention either literally or under the doctrine of equivalents.
With respect to the above description then, it is to be realized that the optimum dimensional relationships for the parts of the molecular modeling device, to include variations in size, materials, shape, form, function and the manner of operation, and use, are deemed readily apparent and obvious to one skilled in the art, and all equivalent relationships to those illustrated in the images and described in the specification are intended to be encompassed by the molecular modeling device.
Directional terms such as “front”, “back”, “in”, “out”, “downward”, “upper”, “lower”, “top”, “bottom”, “lateral”, “vertical” and the like have been used in the description. These terms are applicable to the embodiments shown and described in conjunction with the images. These terms are merely used for the purpose of description in connection with the images and do not necessarily apply to the positions in which the molecular modeling device may be used.
Therefore, the foregoing is considered as illustrative only of the principles of the molecular modeling device. Further, since numerous modifications and changes will readily occur to those skilled in the art, it is not desired to limit the molecular modeling device to the exact construction and operation shown and described, and accordingly, all suitable modifications and equivalents may be resorted to, falling within the scope of the molecular modeling device. While the above description describes various embodiments of the present invention, it will be clear that the present invention may be otherwise easily adapted to fit any configuration where a molecular modeling device is desired or required.
As various changes could be made in the above constructions without departing from the scope of the invention, it is intended that all matter contained in the above description or shown in the accompanying images shall be interpreted as illustrative and not in a limiting sense.
