This study evaluates the effectiveness of emerging information technologies (IT) in promoting sustainability within science and engineering disciplines. Using a mixed-methods approach, we surveyed 200 professionals and conducted 30 in-depth interviews across multiple sectors. Quantitative results indicate strong effectiveness: AI-driven solutions achieved a mean effectiveness score of 3.18/4.0 for improving resource efficiency, IoT systems scored 3.08/4.0 for optimizing energy consumption, and blockchain applications scored 2.95/4.0 for supply chain transparency. Despite a significant initial investment (mean 3.20/4.0), 85% of respondents reported long-term cost savings through operational efficiencies. Qualitative analysis revealed six primary barriers: high implementation costs, skills gaps, regulatory fragmentation, system integration challenges, data security concerns, and rapid technological obsolescence. Applying the Technology-Organization-Environment (TOE) framework, we find that organizational readiness and supportive policy environments are critical success factors. Financial analysis demonstrates a 3.2-year average payback period for IT sustainability investments, with predictive maintenance reducing operational costs by 22%. The study concludes that while IT solutions demonstrate measurable sustainability benefits, maximizing impact requires strategic alignment of technological capabilities with organizational capacity and harmonized regulatory frameworks.