Charge transfer complexes (CTCs) are created when an electron donor reacts with an electron acceptor. Then, a new compound (CTC) is produced by forming hydrogen bonds or charge transfer. This review examines the production, features, and reported CTCs. This highlights recent advancements in utilizing CTCs across different sectors and explores their potential in upcoming uses, as well as the obstacles that must be overcome to create new CTCs and investigate their uses. These complexes have the characteristics of distinctive molecules that differ from traditional ionic, covalent, and coordination bonding. The review opening part summarizes CTCs, highlighting the connection between donors and acceptors in creating new molecular structures. Furthermore, this paper delves into applying density functional theory in examining intermolecular CTCs, emphasizing estimating structures, binding energies, and CT transitions. The review also discusses the different types of CTCs, such as protonic CTCs or hydrogen-bonded charge-transfer (HB-CT) complexes, and the thermodynamics involved in the process, which governs the relationship between the donor and the acceptor. Moreover, the paper emphasizes the diverse uses of CTCs in biological fields, thermoelectrics, photoconductors, light detectors, photocatalysts, material science, medicine, optoelectronic devices, NLO materials, chemo-sensors, electrical conductors, surface chemistry, molecular nanodevices, and photographic technology among other applications.