Computational mechanistic study of thionation of carbonyl compounds with Lawesson's reagent

The thionation reaction of carbonyl compounds with Lawesson's reagent (LR) has been studied using density functional theory methods and topological analyses. After dissociation of LR, the reaction takes place through a two-step mechanism involving (i) a concerted cycloaddition between one monomer and the carbonyl compound to form a four-membered intermediate and (ii) a cycloreversion leading to the thiocarbonyl derivative and phenyl(thioxo)phosphine oxide. Topological analyses confirmed the concertedness and asynchronicity of the process. The second step is the rate-limiting one, and the whole process resembles the currently accepted mechanism for the lithium salt-free Wittig reaction. No zwitterionic intermediates are formed during the reaction, although stabilizing electrostatic interactions are present in initial stages. Phenyl(thioxo)phosphine oxide formed in the thionation reaction is capable of performing a second thionation, although with energy barriers higher than the first one. The driving force of the thionation reactions is the formation of trimers from the resulting monomers. In agreement with experimental observations, the amides are the most reactive when compared with esters, aldehydes, and ketones and the reaction is slightly influenced by the polarity of the solvent. Whereas for amides and esters substituents have little effect, aldehydes and ketones are influenced by both steric and electronic effects.This work was supported by the Spanish Ministerio de Economia y Competitividad (MINECO) (Project CTQ2013-44367-C2-1-P), by the Fondos Europeos para el Desarrollo Regional (FEDER), and by the Gobierno de Aragon (Zaragoza, Spain, Bioorganic Chemistry Group, E-10). M.A.C. thanks the University of Catania for partial financial support.Peer Reviewe

Enhancing Green Process Innovation Performance: The Role of Regenerative Unlearning and Knowledge Base Management

Spanish manufacturing companies are urged to adopt greener practices to mitigate their environmental footprint. However, they often lack the knowledge to do so. Following a knowledge-based approach, this study analyzes the role of strategic knowledge management in enhancing organizational green performance. It introduces the concept of regenerative unlearning, defining it as the result of an organizational change that has consequences at the organizational level. Specifically, it tests the direct influence of regenerative unlearning on green process innovation performance and its indirect influence through knowledge breadth and depth. By analyzing 310 Spanish medium-sized manufacturing companies, results show that updating and managing the knowledge base positively impacts the company's green process innovation performance. This implies that leveraging regenerative unlearning as part of companies’ knowledge management strategy is part of the solution to achieving ecological efficiency in the manufacturing industry. Finally, actionable recommendations for industry leaders to improve their green performance are provided

The evolution of non-financial report quality and visual content: information asymmetry and strategic signalling: a cross-cultural perspective

The increasing stakeholders’ scrutiny requires firms to communicate their non-financial performance to signal their commitment to sustainability. Building on the intention-based view and signalling, legitimacy and institutional theories, this study investigates whether corporate efforts to reduce information asymmetry and enhance their legitimacy led to higher quality and more transparent non-financial reporting practices. This study analyses reports from German, UK and Chinese companies over 14 years. It carries out quantitative and qualitative analysis of textual and visual content to evaluate disclosure density and accuracy of non-financial reports. The findings show limited progress in terms of the density and accuracy of the information disclosed by businesses since 2005. Also, they reveal cultural specificities in the reporting and approach to corporate social responsibility, along with a tendency to “create an appearance of legitimacy” by organisations. This study adds to the literature by studying the use of visual elements in non-financial reports. Moreover, it calls for strict policies and guidelines for the reporting of environmental and social issues by organisations. In particular, the inappropriate use of visual contents, the failure to provide quantitative information and managerial orientations show the need for completeness, transparency, and balance of information in reporting guidelines and regulations. The lack of authenticity and quality of the reports jeopardises the very purpose of non-financial reporting eroding trust in the system by all relevant social and economic stakeholders

Ecotourism Capital as an Enabler of Positive Change in Tourism Sustainability

Despite a global commitment to minimise the impact of tourism on the environment and maximise its benefits for local communities, the pressure of tourism on natural resources is still increasing. In this context, ecotourism becomes key to safeguarding the integrity of the ecosystem while producing economic benefits that can ultimately encourage the conservation of the environment. However, despite its benefits, there is still a need to develop the market presence of ecotourism strategies and initiatives. Thus, tourists' positive intention toward ecotourism and organisations that seek to meet the demand of the increasingly environmentally conscious market are key to the success of ecotourism initiatives. In the context of the information era, organisations may create a trustworthy relationship with ecotourists by providing them with accurate and engaging information on their environmental policies and actions. This relationship may result in the emergence of a critical intangible asset such as eco-tourism capital as tourists' decisions are based on image, perception and recommendations from social groups. For organisations to benefit from eco-tourism capital, they should use social media to generate opportunities for eco-tourists to experience and appreciate nature, respect local cultures, support local communities and minimise and mitigate their negative impact on the environment. Based on the above, the aim of this study is to explore, via a descriptive analysis of data collected from international ecotourists, how social media can be used to create eco-tourism capital. To that aim, we explore factors relating to ecotourism knowledge, green trust, and exposure to information on social media provided by ecotourism service providers

Stevie Smith: Una Narrativa Crítica

El artículo analiza los textos narrativos de la autora británica Stevie Smith, con especial atención en los elementos literarios que remiten a una «crítica social», articulada oblicuamente por un tratamiento artístico posvanguardista, en tanto no intenta traslucir una visión ideológica coherente de la autora, de la narradora ni de las relaciones de esta consigo misma, con el lenguaje y con los demás personajes. Se muestra que la figura de identidad, en los textos, se corresponde con la idea de un sujeto escindido, móvil, compuesto por la construcción de una identidad ficcional basada en identificaciones parciales, diversas y cambiantes que dan cuenta de las tensiones y complejidades ideológicas que afectan a un corte de una cultura en un momento histórico conflictivo

Stevie Smith. Una Narrativa Crítica

El artículo analiza los textos narrativos de la autora británica Stevie Smith, con especial atención en los elementos literarios que remiten a una «crítica social», articulada oblicuamente por un tratamiento artístico posvanguardista, en tanto no intenta traslucir una visión ideológica coherente de la autora, de la narradora ni de las relaciones de esta consigo misma, con el lenguaje y con los demás personajes. Se muestra que la figura de identidad, en los textos, se corresponde con la idea de un sujeto escindido, móvil, compuesto por la construcción de una identidad ficcional basada en identificaciones parciales, diversas y cambiantes que dan cuenta de las tensiones y complejidades ideológicas que afectan a un corte de una cultura en un momento histórico conflictivo.This article analyzes the narrative texts of British author Stevie Smith, focusing on the literary elements referring to what might be deemed as the expression of a «social criticism». In Smith's narrative, these elements are obliquely articulated by means of a specific artistic treatment, which might be considered as post avant-garde in that it does not seek to reveal a coherent ideological vision of the author, the narrator or the narrator's relationship with herself, with language and with other characters in the texts. The article argues that identity corresponds with the idea of a split, mutable subject, constructed as a fictional identity based on partial, diverse and changing identifications which account for the ideological tensions and intricacies affecting a part of a culture in a conflictive historical moment.Este artículo es resultado del trabajo de investigación del equipo dirigido por el Dr. Miguel Ángel Montezanti en el marco del Proyecto de Incentivos en los años 2008-2011.Documento incorporado en 2019 en el marco del "Programa de becas de experiencia laboral" de la Biblioteca Guillermo Obiols para estudiantes de Bibliotecología, a partir de un procedimiento técnico de captura de datos desarrollado por el personal del IdIHCS.Facultad de Humanidades y Ciencias de la Educació

Stevie Smith. Una Narrativa Crítica

El artículo analiza los textos narrativos de la autora británica Stevie Smith, con especial atención en los elementos literarios que remiten a una «crítica social», articulada oblicuamente por un tratamiento artístico posvanguardista, en tanto no intenta traslucir una visión ideológica coherente de la autora, de la narradora ni de las relaciones de esta consigo misma, con el lenguaje y con los demás personajes. Se muestra que la figura de identidad, en los textos, se corresponde con la idea de un sujeto escindido, móvil, compuesto por la construcción de una identidad ficcional basada en identificaciones parciales, diversas y cambiantes que dan cuenta de las tensiones y complejidades ideológicas que afectan a un corte de una cultura en un momento histórico conflictivo.This article analyzes the narrative texts of British author Stevie Smith, focusing on the literary elements referring to what might be deemed as the expression of a «social criticism». In Smith's narrative, these elements are obliquely articulated by means of a specific artistic treatment, which might be considered as post avant-garde in that it does not seek to reveal a coherent ideological vision of the author, the narrator or the narrator's relationship with herself, with language and with other characters in the texts. The article argues that identity corresponds with the idea of a split, mutable subject, constructed as a fictional identity based on partial, diverse and changing identifications which account for the ideological tensions and intricacies affecting a part of a culture in a conflictive historical moment.Este artículo es resultado del trabajo de investigación del equipo dirigido por el Dr. Miguel Ángel Montezanti en el marco del Proyecto de Incentivos en los años 2008-2011.Documento incorporado en 2019 en el marco del "Programa de becas de experiencia laboral" de la Biblioteca Guillermo Obiols para estudiantes de Bibliotecología, a partir de un procedimiento técnico de captura de datos desarrollado por el personal del IdIHCS.Facultad de Humanidades y Ciencias de la Educació