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Phức hợp bạc(I) với các diamine chuỗi dài trong dung môi không chứa nước
Tóm tắt
Kết quả của một nghiên cứu điện thế và nhiệt lượng về các phản ứng tạo phức của các ligand cho N trung tính 1,4-diaminobutane (dab) và 1,5-diaminopentane (dap) với bạc(I) trong dimethylsulfoxide (DMSO) được báo cáo. Cuộc điều tra được mở rộng đối với ligand dab trong dung môi không protic acetonitrile (AN), điều này thể hiện hằng số điện môi và số lượng donor khác biệt đáng kể so với DMSO. Trong cả hai dung môi, các loài Ag2L22+ và Ag2L32+ đa hạt có tính ổn định cao được hình thành, điều này ngăn chặn sự hình thành các loài đơn hạt. Các loài Ag2L22+ được ổn định nhờ sự hình thành các vòng đối xứng không chelate lớn và ổn định mà cấu trúc của chúng được mô tả bởi các phép tính DFT. Các giá trị enthalpy tổng thể liên quan đến việc hình thành phức rất tỏa nhiệt, trong khi các giá trị entropy lại chống lại sự hình thành phức. Một đặc điểm thú vị là enthalpy thấp và không có sự biến đổi entropy đáng kể hoặc dương liên quan đến sự hình thành liên tiếp của Ag2L32+. Cũng trong trường hợp này, các nghiên cứu mô hình phân tử đã cung cấp một cái nhìn rõ hơn về cấu trúc của chúng trong dung dịch, cho thấy có lẽ không có sự thay đổi cấu hình xung quanh ion kim loại xảy ra. Các hằng số ổn định và các giá trị enthalpy thu được cho các loài Ag2L22+ thông thường bị ảnh hưởng nhẹ bởi độ dài chuỗi của các diamine, như được xác nhận bởi sự so sánh với các dữ liệu có sẵn cho cùng một loài hình thành bởi 1,3-diaminopropane (dapr) ngắn hơn trong DMSO.
Từ khóa
#bạc(I) #phức hợp #ligand #diamine #dung môi không chứa nước #nhiệt lượng #điện thế #mô hình phân tửTài liệu tham khảo
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