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INVESTIGADORES OAXAQUEÑOS
Descubriendo los secretos de la vida de las moléculas
NÉSTOR YURI
DR. JAVIER TOLEDO FLORES
“La química teórica y computacional nos permite adentrarnos en el universo invisible de las moléculas y átomos que componen nuestro mundo. Imagina que en la punta de un alfiler caben cinco billones de ellos. En ese espacio tan pequeño, la química cuántica se convierte en la herramienta fundamental para explorar lo que sucede a nivel molecular”. Así nos lo explica Oscar Jiménez Halla, Doctor en Química Teórica y Computacional, sobre su campo de investigación científica.

¿QUÉ ES LA QUÍMICA CUÁNTICA?
La química cuántica utiliza modelos matemáticos para explicar el comportamiento de átomos y moléculas. Los átomos están compuestos por protones y neutrones en su núcleo, alrededor de los cuales giran los electrones a velocidades impresionantes. Estos electrones se mueven tan rápido que, si pudiéramos verlos, parecería que están en todas partes a la vez. Para describir este comportamiento complejo, los científicos utilizan algo llamado «función de onda», una herramienta matemática propuesta en 1925 por el físico Erwin Schrödinger.

Gracias a la función de onda, los químicos teóricos pueden entender y predecir cómo interactúan las moléculas en las reacciones químicas que ocurren en el medio ambiente. Esta teoría ha permitido avanzar en el conocimiento de conceptos clave de la química, como la aromaticidad, que describe la estabilidad de ciertas estructuras moleculares, y los mecanismos de reacción, que explican cómo y por qué unas moléculas se transforman en otras.
Responder el cómo y el por qué fueron lo que desde niño motivaron su interés por la ciencia y, hasta ahora, el Dr. Jiménez Halla empieza a encontrar algunas de las respuestas que desde niño se planteó mientras acompañaba a su padre, catedrático de Química, a su laboratorio en la Instituto Tecnológico de Oaxaca. Su sueño era convertirse en uno de los mejores químicos del país.
LAS INSTRUCCIONES DE LA NATURALEZA.
Un mecanismo de reacción es como un guion detallado de cómo una molécula se convierte en otra. En cada paso, los átomos se mueven y los electrones se reorganizan para formar nuevas estructuras. Estos procesos ocurren en sólidos, líquidos y gases y son esenciales para producir materiales de gran valor comercial, como plásticos, pigmentos, fibras sintéticas o medicamentos.
Comprender los mecanismos de reacción es crucial, ya que permite a los científicos ajustar las condiciones de una reacción para optimizar el resultado deseado. Por ejemplo, en la fabricación de medicamentos. Saber el camino que siguen las moléculas ayuda a seleccionar la ruta más eficiente, reduciendo costos y tiempo de producción.
EL ESTADO DE TRANSICIÓN.
Para que ocurra una reacción química, las moléculas deben chocar con suficiente energía y en una posición adecuada. Este nivel de energía se llama energía de activación, que permite a las moléculas superar la barrera que separa a los reactivos, los materiales de partida, de los productos, las sustancias resultantes.
En el punto máximo de esta barrera, las moléculas alcanzan el llamado estado de transición. Es un momento inestable en el que las moléculas «deciden» si continuar hacia los productos de la reacción o regresar a su estado original. Henry Eyring, un químico estadounidense nacido en Chihuahua, México, fue uno de los pioneros en describir el estado de transición. Su teoría revolucionó la manera en que entendemos las reacciones químicas, y años más tarde, el químico egipcio Ahmed Zewail utilizó técnicas de láser para «fotografiar» este estado por primera vez, un logro que le valió el Premio Nobel en 1999.
DISEÑANDO EL FUTURO A NIVEL MOLECULAR.
La química teórica y computacional no solo busca entender cómo ocurren las reacciones, sino que también permite diseñar nuevas reacciones. Imaginemos que queremos desarrollar un combustible más eficiente para cohetes o crear nuevos materiales que hagan nuestras tecnologías más avanzadas y sostenibles. Para lograrlo, los químicos necesitan conocer a fondo los mecanismos de reacción, desde los cambios en los enlaces entre átomos hasta el movimiento preciso de los electrones. Estos estudios han llevado al descubrimiento de nuevas estructuras moleculares y enlaces químicos inesperados.
LA AGENCIA DE DETECTIVES DE LAS MOLÉCULAS.
Estudiar química teórica es como investigar la vida personal de las moléculas, observando sus interacciones y secretos más profundos. En un laboratorio, los científicos pueden simular reacciones para anticipar cómo se comportarán en el mundo real. Este conocimiento es invaluable para diseñar nuevos medicamentos, aleaciones más resistentes y materiales avanzados para diversas aplicaciones tecnológicas.
Podríamos pensar en los químicos teóricos como una especie de «agencia de detectives de moléculas», donde cada experimento es una pista hacia nuevos descubrimientos. Su trabajo contribuye a avances en medicina, tecnología y ecología, ayudándonos a entender los fenómenos naturales y a aplicar este conocimiento en beneficio de la humanidad.
UN UNIVERSO DE POSIBILIDADES.
El campo de la química teórica sigue expandiéndose, y cada nuevo descubrimiento abre puertas a aplicaciones que parecían imposibles. Desde crear compuestos que mejoran nuestra salud hasta desarrollar materiales de alta tecnología, esta disciplina está en la frontera de la innovación científica.
La próxima vez que escuche hablar sobre química cuántica, recuerde que no se trata solo de conceptos abstractos; es un esfuerzo continuo por entender y aprovechar las leyes fundamentales que rigen nuestro mundo. Gracias a estos «detectives de moléculas», el futuro se presenta lleno de posibilidades que hasta hace poco eran solo ciencia ficción.
El Dr. Oscar Jiménez Halla es un destacado investigador oaxaqueño trabajando fuera de nuestra tierra. Su esfuerzo personal lo ha llevado a obtener la máxima categoría como investigador en México, el nivel 3, dentro del Sistema Nacional de Investigadores, SNI, y tener el privilegio de publicar numerosos ensayos en revista especializadas a nivel internacional.
La pregunta que de niño se hizo sigue en permanente investigación, como al principio: ¿cómo una molécula se convierte en otra?
Contacto: [email protected]
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